Records |
Author |
Abakumov, A.M.; Batuk, D.; Tsirlin, A.A.; Prescher, C.; Dubrovinsky, L.; Sheptyakov, D.V.; Schnelle, W.; Hadermann, J.; Van Tendeloo, G. |
Title |
Frustrated pentagonal Cairo lattice in the non-collinear antiferromagnet Bi4Fe5O13F |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Phys Rev B |
Volume |
87 |
Issue |
2 |
Pages |
024423-24429 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We report on the crystal structure and magnetism of the iron-based oxyfluoride Bi4Fe5O13F, a material prototype of the Cairo pentagonal spin lattice. The crystal structure of Bi4Fe5O13F is determined by a combination of neutron diffraction, synchrotron x-ray diffraction, and transmission electron microscopy. It comprises layers of FeO6 octahedra and FeO4 tetrahedra forming deformed pentagonal units. The topology of these layers resembles a pentagonal least-perimeter tiling, which is known as the Cairo lattice. This topology gives rise to frustrated exchange couplings and underlies a sequence of magnetic transitions at T-1 = 62 K, T-2 = 71 K, and T-N = 178 K, as determined by thermodynamic measurements and neutron diffraction. Below T-1, Bi4Fe5O13F forms a fully ordered non-collinear antiferromagnetic structure, whereas the magnetic state between T-1 and T-N may be partially disordered according to the sizable increase in the magnetic entropy at T-1 and T-2. Bi4Fe5O13F reveals unanticipated magnetic transitions on the pentagonal Cairo spin lattice and calls for a further work on finite-temperature properties of this strongly frustrated spin model. DOI: 10.1103/PhysRevB.87.024423 |
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Wos |
000314224800002 |
Publication Date |
2013-02-01 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
17 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:107688 |
Serial |
1293 |
Permanent link to this record |
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Author |
Tsirlin, A.A.; Nath, R.; Abakumov, A.M.; Shpanchenko, R.V.; Geibel, C.; Rosner, H. |
Title |
Frustrated square lattice with spatial anisotropy: crystal structure and magnetic properties of PbZnVO(PO4)2 |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Phys Rev B |
Volume |
81 |
Issue |
17 |
Pages |
174424,1-174424,13 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Crystal structure and magnetic properties of the layered vanadium phosphate PbZnVO(PO4)2 are studied using x-ray powder diffraction, magnetization and specific-heat measurements, as well as band-structure calculations. The compound resembles AA′VO(PO4)2 vanadium phosphates and fits to the extended frustrated square-lattice model with the couplings J1, J1′ between nearest neighbors and J2, J2′ between next-nearest neighbors. The temperature dependence of the magnetization yields estimates of averaged nearest-neighbor and next-nearest-neighbor couplings, J̅ 1≃−5.2 K and J̅ 2≃10.0 K, respectively. The effective frustration ratio α=J̅ 2/J̅ 1 amounts to −1.9 and suggests columnar antiferromagnetic ordering in PbZnVO(PO4)2. Specific-heat data support the estimates of J̅ 1 and J̅ 2 and indicate a likely magnetic ordering transition at 3.9 K. However, the averaged couplings underestimate the saturation field, thus pointing to the spatial anisotropy of the nearest-neighbor interactions. Band-structure calculations confirm the identification of ferromagnetic J1, J1′ and antiferromagnetic J2, J2′ in PbZnVO(PO4)2 and yield (J1′−J1)≃1.1 K in excellent agreement with the experimental value of 1.1 K, deduced from the difference between the expected and experimentally measured saturation fields. Based on the comparison of layered vanadium phosphates with different metal cations, we show that a moderate spatial anisotropy of the frustrated square lattice has minor influence on the thermodynamic properties of the model. We discuss relevant geometrical parameters, controlling the exchange interactions in these compounds and propose a strategy for further design of strongly frustrated square-lattice materials. |
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Place of Publication |
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Wos |
000278141600082 |
Publication Date |
2010-05-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
27 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:83384 |
Serial |
1294 |
Permanent link to this record |
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Author |
Tsirlin, A.A.; Abakumov, A.M.; Van Tendeloo, G.; Rosner, H. |
Title |
Interplay of atomic displacement in the quantum magnet (CuCI)LaNb2O7 |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Phys Rev B |
Volume |
82 |
Issue |
5 |
Pages |
054107,1-054107,12 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We report on the crystal structure of the quantum magnet CuClLaNb2O7 that was controversially described with respect to its structural organization and magnetic behavior. Using high-resolution synchrotron powder x-ray diffraction, electron diffraction, transmission electron microscopy, and band-structure calculations, we solve the room-temperature structure of this compound -CuClLaNb2O7 and find two high-temperature polymorphs. The -CuClLaNb2O7 phase, stable above 640 K, is tetragonal with asub=3.889 Å, csub =11.738 Å, and the space group P4/mmm. In the -CuClLaNb2O7 structure, the Cu and Cl atoms are randomly displaced from the special positions along the 100 directions. The phase asub2asubcsub, space group Pbmm and the phase 2asub2asubcsub, space group Pbam are stable between 640 K and 500 K and below 500 K, respectively. The structural changes at 500 and 640 K are identified as order-disorder phase transitions. The displacement of the Cl atoms is frozen upon the → transformation while a cooperative tilting of the NbO6 octahedra in the phase further eliminates the disorder of the Cu atoms. The low-temperature -CuClLaNb2O7 structure thus combines the two types of the atomic displacements that interfere due to the bonding between the Cu atoms and the apical oxygens of the NbO6 octahedra. The precise structural information resolves the controversy between the previous computation-based models and provides the long-sought input for understanding CuClLaNb2O7 and related compounds with unusual magnetic properties. |
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Place of Publication |
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Language |
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Wos |
000280849400001 |
Publication Date |
2010-08-12 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
13 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:83991 |
Serial |
1706 |
Permanent link to this record |
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Author |
Gou, H.; Tsirlin, A.A.; Bykova, E.; Abakumov, A.M.; Van Tendeloo, G.; Richter, A.; Ovsyannikov, S.V.; Kurnosov, A.V.; Trots, D.M.; Konôpková, Z.; Liermann, H.P.; Dubrovinsky, L.; Dubrovinskaia, N.; |
Title |
Peierls distortion, magnetism, and high hardness of manganese tetraboride |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Phys Rev B |
Volume |
89 |
Issue |
6 |
Pages |
064108-64109 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We report crystal structure, electronic structure, and magnetism of manganese tetraboride, MnB4, synthesized under high-pressure, high-temperature conditions. In contrast to superconducting FeB4 and metallic CrB4, which are both orthorhombic, MnB4 features a monoclinic crystal structure. Its lower symmetry originates from a Peierls distortion of the Mn chains. This distortion nearly opens the gap at the Fermi level, but despite the strong dimerization and the proximity of MnB4 to the insulating state, we find indications for a sizable paramagnetic effective moment of about 1.7 mu(B)/f.u., ferromagnetic spin correlations, and, even more surprisingly, a prominent electronic contribution to the specific heat. However, no magnetic order has been observed in standard thermodynamic measurements down to 2 K. Altogether, this renders MnB4 a structurally simple but microscopically enigmatic material; we argue that its properties may be influenced by electronic correlations. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000332405000002 |
Publication Date |
2014-02-24 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
39 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:115819 |
Serial |
2571 |
Permanent link to this record |
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Author |
Tsirlin, A.A.; Nath, R.; Abakumov, A.M.; Furukawa, Y.; Johnston, D.C.; Hemmida, M.; Krug von Nidda, H.-A.; Loidl, A.; Geibel, C.; Rosner, H. |
Title |
Phase separation and frustrated square lattice magnetism of Na1.5VOPO4F0.5 |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Phys Rev B |
Volume |
84 |
Issue |
1 |
Pages |
014429-014429,16 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Crystal structure, electronic structure, and magnetic behavior of the spin-1/2 quantum magnet Na1.5VOPO4F0.5 are reported. The disorder of Na atoms leads to a sequence of structural phase transitions revealed by synchrotron x-ray powder diffraction and electron diffraction. The high-temperature second-order α↔β transition at 500 K is of the order-disorder type, whereas the low-temperature β↔γ+γ′ transition around 250 K is of the first order and leads to a phase separation toward the polymorphs with long-range (γ) and short-range (γ′) order of Na. Despite the complex structural changes, the magnetic behavior of Na1.5VOPO4F0.5 probed by magnetic susceptibility, heat capacity, and electron spin resonance measurements is well described by the regular frustrated square lattice model of the high-temperature α-polymorph. The averaged nearest-neighbor and next-nearest-neighbor couplings are J̅ 1≃−3.7 K and J̅ 2≃6.6 K, respectively. Nuclear magnetic resonance further reveals the long-range ordering at TN=2.6 K in low magnetic fields. Although the experimental data are consistent with the simplified square-lattice description, band structure calculations suggest that the ordering of Na atoms introduces a large number of inequivalent exchange couplings that split the square lattice into plaquettes. Additionally, the direct connection between the vanadium polyhedra induces an unusually strong interlayer coupling having effect on the transition entropy and the transition anomaly in the specific heat. Peculiar features of the low-temperature crystal structure and the relation to isostructural materials suggest Na1.5VOPO4F0.5 as a parent compound for the experimental study of tetramerized square lattices as well as frustrated square lattices with different values of spin. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000293247400008 |
Publication Date |
2011-07-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
47 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:91770 |
Serial |
2588 |
Permanent link to this record |
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Author |
Tsirlin, A.A.; Abakumov, A.M.; Ritter, C.; Henry, P.F.; Janson, O.; Rosner, H. |
Title |
Short-range order of Br and three-dimensional magnetism in (CuBr)LaNb2O7 |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Phys Rev B |
Volume |
85 |
Issue |
21 |
Pages |
214427 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We present a comprehensive study of the crystal structure, magnetic structure, and microscopic magnetic model of (CuBr)LaNb2O7, the Br analog of the spin-gap quantum magnet (CuCl) LaNb2O7. Despite similar crystal structures and spin lattices, the magnetic behavior and even peculiarities of the atomic arrangement in the Cl and Br compounds are very different. The high- resolution x-ray and neutron data reveal a split position of Br atoms in (CuBr) LaNb2O7. This splitting originates from two possible configurations developed by [CuBr] zigzag ribbons. While the Br atoms are locally ordered in the ab plane, their arrangement along the c direction remains partially disordered. The predominant and energetically more favorable configuration features an additional doubling of the c lattice parameter that was not observed in (CuCl) LaNb2O7. (CuBr) LaNb2O7 undergoes long-range antiferromagnetic ordering at T-N = 32 K, which is nearly 70% of the leading exchange coupling J4 similar or equal to 48 K. The Br compound does not show any experimental signatures of low-dimensional magnetism because the underlying spin lattice is three-dimensional. The coupling along the c direction is comparable to the couplings in the ab plane, even though the shortest Cu-Cu distance along c (11.69 angstrom) is three times larger than nearest-neighbor distances in the ab plane (3.55 angstrom). The stripe antiferromagnetic long-range order featuring columns of parallel spins in the ab plane and antiparallel spins along c is verified experimentally and confirmed by the microscopic analysis. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000305557600002 |
Publication Date |
2012-06-22 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
5 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:100289 |
Serial |
2998 |
Permanent link to this record |
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Author |
Abakumov, A.M.; Tsirlin, A.A.; Perez-Mato, J.M.; Petřiček, V.; Rosner, H.; Yang, T.; Greenblatt, M. |
Title |
Spiral ground state against ferroelectricity in the frustrated magnet BiMnFe2O6 |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Phys Rev B |
Volume |
83 |
Issue |
21 |
Pages |
214402-214402,10 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The spiral magnetic structure and underlying spin lattice of BiMnFe2O6 are investigated by low-temperature neutron powder diffraction and density functional theory band structure calculations. In spite of the random distribution of the Mn3+ and Fe3+ cations, this centrosymmetric compound undergoes a transition into an incommensurate antiferromagnetically ordered state below TN≃220 K. The magnetic structure is characterized by the propagation vector k=[0,β,0] with β≃0.14 and the P221211′(0β0)0s0s magnetic superspace symmetry. It comprises antiferromagnetic helixes propagating along the b axis. The magnetic moments lie in the ac plane and rotate about π(1+β)≃204.8-deg angle between the adjacent magnetic atoms along b. The spiral magnetic structure arises from the peculiar frustrated arrangement of exchange couplings in the ab plane. The antiferromagnetic coupling along the c axis cancels the possible electric polarization and prevents ferroelectricity in BiMnFe2O6. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000291197400001 |
Publication Date |
2011-06-03 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
12 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:90080 |
Serial |
3107 |
Permanent link to this record |
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Author |
Lobanov, M.V.; Balagurov, A.M.; Pomjakushin, V.J.; Fischer, P.; Gutmann, M.; Abakumov, A.M.; D'yachenko, O.G.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G. |
Title |
Structural and magnetic properties of the colossal magnetoresistance perovskite La0.85Ca0.15MnO3 |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Phys Rev B |
Volume |
61 |
Issue |
13 |
Pages |
8941-8949 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
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Corporate Author |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000086597400059 |
Publication Date |
2002-07-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
47 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 3.836; 2000 IF: NA |
Call Number |
UA @ lucian @ c:irua:54735 |
Serial |
3197 |
Permanent link to this record |
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Author |
Tsirlin, A.A.; Abakumov, A.M.; Ritter, C.; Rosner, H. |
Title |
(CuCl)LaTa2O\text{7} and quantum phase transition in the (CuX)LaM2O7 family (X=Cl, Br; M=Nb, Ta) |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Phys Rev B |
Volume |
86 |
Issue |
6 |
Pages |
064440-12 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We apply neutron diffraction, high-resolution synchrotron x-ray diffraction, magnetization measurements, electronic structure calculations, and quantum Monte-Carlo simulations to unravel the structure and magnetism of (CuCl)LaTa2O7. Despite the pseudo-tetragonal crystallographic unit cell, this compound features an orthorhombic superstructure, similar to the Nb-containing (CuX)LaNb2O7 with X = Cl and Br. The spin lattice entails dimers formed by the antiferromagnetic fourth-neighbor coupling J(4), as well as a large number of nonequivalent interdimer couplings quantified by an effective exchange parameter J(eff). In (CuCl)LaTa2O7, the interdimer couplings are sufficiently strong to induce the long-range magnetic order with the Neel temperature T-N similar or equal to 7 K and the ordered magnetic moment of 0.53 mu(B), as measured with neutron diffraction. This magnetic behavior can be accounted for by J(eff)/J(4) similar or equal to 1.6 and J(4) similar or equal to 16 K. We further propose a general magnetic phase diagram for the (CuCl)LaNb2O7-type compounds, and explain the transition from the gapped spin-singlet (dimer) ground state in (CuCl)LaNb2O7 to the long-range antiferromagnetic order in (CuCl)LaTa2O7 and (CuBr)LaNb2O7 by an increase in the magnitude of the interdimer couplings J(eff)/J(4), with the (CuCl)LaM2O7 (M = Nb, Ta) compounds lying on different sides of the quantum critical point that separates the singlet and long-range-ordered magnetic ground states. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000308127600006 |
Publication Date |
2012-08-29 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:101886 |
Serial |
3526 |
Permanent link to this record |
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Author |
Tsirlin, A.A.; Rousochatzakis, I.; Filimonov, D.; Batuk, D.; Frontzek, M.; Abakumov, A.M. |
Title |
Spin-reorientation transitions in the Cairo pentagonal magnet Bi4Fe5O13F |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Phys Rev B |
Volume |
96 |
Issue |
9 |
Pages |
094420 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We show that interlayer spins play a dual role in the Cairo pentagonal magnet Bi4Fe5O13F, on one hand mediating the three-dimensional magnetic order, and on the other driving spin-reorientation transitions both within and between the planes. The corresponding sequence of magnetic orders unraveled by neutron diffraction and Mossbauer spectroscopy features two orthogonal magnetic structures described by opposite local vector chiralities, and an intermediate, partly disordered phase with nearly collinear spins. A similar collinear phase has been predicted theoretically to be stabilized by quantum fluctuations, but Bi4Fe5O13F is very far from the relevant parameter regime. While the observed in-plane reorientation cannot be explained by any standard frustration mechanism, our ab initio band-structure calculations reveal strong single-ion anisotropy of the interlayer Fe3+ spins that turns out to be instrumental in controlling the local vector chirality and the associated interlayer order. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000411161700002 |
Publication Date |
2017-09-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
OpenAccess |
Notes |
We are grateful to J.-M. Perez-Mato and Dmitry Khalyavin for valuable discussions on the magnetic structures and symmetries. D.F. and A.A. are grateful to the Russian Science Foundation (Grant No. 14-13-00680) for support. A.T. was supported by the Federal Ministry for Education and Research through the Sofja Kovalevskaya Award of the Alexander von Humboldt Foundation. This work is based on experiments performed at the Swiss spallation neutron source SINQ, Paul Scherrer Institut, Villigen, Switzerland. |
Approved |
Most recent IF: 3.836 |
Call Number |
EMAT @ emat @c:irua:146748 |
Serial |
4774 |
Permanent link to this record |
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Author |
Mefford, J.T.; Kurilovich, A.A.; Saunders, J.; Hardin, W.G.; Abakumov, A.M.; Forslund, R.P.; Bonnefont, A.; Dai, S.; Johnston, K.P.; Stevenson, K.J. |
Title |
Decoupling the roles of carbon and metal oxides on the electrocatalytic reduction of oxygen on La1-xSrxCoO3-\delta perovskite composite electrodes |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Phys Chem Chem Phys |
Volume |
21 |
Issue |
6 |
Pages |
3327-3338 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Perovskite oxides are active room-temperature bifunctional oxygen electrocatalysts in alkaline media, capable of performing the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) with lower combined overpotentials relative to their precious metal counterparts. However, their semiconducting nature necessitates the use of activated carbons as conductive supports to generate applicably relevant current densities. In efforts to advance the performance and theory of oxide electrocatalysts, the chemical and physical properties of the oxide material often take precedence over contributions from the conductive additive. In this work, we find that carbon plays an important synergistic role in improving the performance of La1-xSrxCoO3- (0 x 1) electrocatalysts through the activation of O-2 and spillover of radical oxygen intermediates, HO2- and O-2(-), which is further reduced through chemical decomposition of HO2- on the perovskite surface. Through a combination of thin-film rotating disk electrochemical characterization of the hydrogen peroxide intermediate reactions (hydrogen peroxide reduction reaction (HPRR), hydrogen peroxide oxidation reaction (HPOR)) and oxygen reduction reaction (ORR), surface chemical analysis, HR-TEM, and microkinetic modeling on La1-xSrxCoO3- (0 x 1)/carbon (with nitrogen and non-nitrogen doped carbons) composite electrocatalysts, we deconvolute the mechanistic aspects and contributions to reactivity of the oxide and carbon support. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000459584900049 |
Publication Date |
2019-01-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.123 |
Times cited |
5 |
Open Access |
OpenAccess |
Notes |
; Financial support for this work was provided by the R. A. Welch Foundation (grants F-1529 and F-1319). S. D. was supported as part of the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences. ; |
Approved |
Most recent IF: 4.123 |
Call Number |
UA @ admin @ c:irua:158625 |
Serial |
5244 |
Permanent link to this record |
|
|
|
Author |
Lebedev, O.I.; Van Tendeloo, G.; Abakumov, A.M.; Amelinckx, S.; Leibold, B.; Habermeier, H.-U. |
Title |
A study of the domain structure of epitaxial (La-Ca)MnO3 films by high-resolution transmission electron microscopy |
Type |
A1 Journal article |
Year |
1999 |
Publication |
Philosophical magazine: A: physics of condensed matter: defects and mechanical properties |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Philos Mag A |
Volume |
79 |
Issue |
|
Pages |
1461-1478 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000080687900013 |
Publication Date |
2007-07-08 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0141-8610;1460-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
27 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:29713 |
Serial |
3335 |
Permanent link to this record |
|
|
|
Author |
Abakumov, A.M.; Lebedev, O.I.; Nistor, L.; Van Tendeloo, G.; Amelinckx, S. |
Title |
The ferroelectric phase transition in tridymite type BaAl2O4 studied by electron microscopy |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Phase transitions |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Phase Transit |
Volume |
71 |
Issue |
|
Pages |
143-160 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication |
New York |
Editor |
|
Language |
|
Wos |
000088795800005 |
Publication Date |
2007-07-08 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0141-1594;1029-0338; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.06 |
Times cited |
21 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.06; 2000 IF: NA |
Call Number |
UA @ lucian @ c:irua:54724 |
Serial |
1181 |
Permanent link to this record |
|
|
|
Author |
Lemmens, H.; Amelinckx, S.; Van Tendeloo, G.; Abakumov, A.M.; Rozova, M.G.; Antipov, E.V. |
Title |
Transmission electron microscopy study of polymorphism in barium gallate BaGa2O4 |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Phase transitions |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Phase Transit |
Volume |
76 |
Issue |
7 |
Pages |
653-670 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
New York |
Editor |
|
Language |
|
Wos |
000184129400004 |
Publication Date |
2003-11-10 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0141-1594;1029-0338; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.06 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.06; 2003 IF: 0.558 |
Call Number |
UA @ lucian @ c:irua:54857 |
Serial |
3719 |
Permanent link to this record |
|
|
|
Author |
Meert, K.W.; Morozov, V.A.; Abakumov, A.M.; Hadermann, J.; Poelman, D.; Smet, P.F. |
Title |
Energy transfer in Eu3+ doped scheelites : use as thermographic phosphor |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Optics express |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Opt Express |
Volume |
22 |
Issue |
9 |
Pages |
A961-A972 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
In this paper the luminescence of the scheelite-based CaGd2(1-x)Eu2x(WO4)4 solid solutions is investigated as a function of the Eu content and temperature. All phosphors show intense red luminescence due to the 5D0 7F2 transition in Eu3+, along with other transitions from the 5D1 and 5D0 excited states. For high Eu3+ concentrations the intensity ratio of the emission originating from the 5D1 and 5D0 levels has a non-conventional temperature dependence, which could be explained by a phonon-assisted cross-relaxation process. It is demonstrated that this intensity ratio can be used as a measure of temperature with high spatial resolution, allowing the use of these scheelites as thermographic phosphor. The main disadvantage of many thermographic phosphors, a decreasing signal for increasing temperature, is absent. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000335905300037 |
Publication Date |
2014-04-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1094-4087; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.307 |
Times cited |
47 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.307; 2014 IF: 3.488 |
Call Number |
UA @ lucian @ c:irua:117067 |
Serial |
1044 |
Permanent link to this record |
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|
|
Author |
Voorhaar, L.; Diaz, M.M.; Leroux, F.; Rogers, S.; Abakumov, A.M.; Van Tendeloo, G.; Van Assche, G.; Van Mele, B.; Hoogenboom, R. |
Title |
Supramolecular thermoplastics and thermoplastic elastomer materials with self-healing ability based on oligomeric charged triblock copolymers |
Type |
A1 Journal article |
Year |
2017 |
Publication |
NPG Asia materials |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Npg Asia Mater |
Volume |
9 |
Issue |
|
Pages |
e385 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Supramolecular polymeric materials constitute a unique class of materials held together by non-covalent interactions. These dynamic supramolecular interactions can provide unique properties such as a strong decrease in viscosity upon relatively mild heating, as well as self-healing ability. In this study we demonstrate the unique mechanical properties of phase-separated electrostatic supramolecular materials based on mixing of low molar mass, oligomeric, ABA-triblock copolyacrylates with oppositely charged outer blocks. In case of well-chosen mixtures and block lengths, the charged blocks are phase separated from the uncharged matrix in a hexagonally packed nanomorphology as observed by transmission electron microscopy. Thermal and mechanical analysis of the material shows that the charged sections have a T-g closely beyond room temperature, whereas the material shows an elastic response at temperatures far above this T-g ascribed to the electrostatic supramolecular interactions. A broad set of materials having systematic variations in triblock copolymer structures was used to provide insights in the mechanical properties and and self-healing ability in correlation with the nanomorphology of the materials. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000402065300005 |
Publication Date |
2017-05-26 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1884-4049; 1884-4057 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.157 |
Times cited |
8 |
Open Access |
OpenAccess |
Notes |
; This research was conducted in the framework of the SIM-SHE/NAPROM project and SIM is gratefully acknowledged for the financial support. ; |
Approved |
Most recent IF: 9.157 |
Call Number |
UA @ lucian @ c:irua:144263 |
Serial |
4691 |
Permanent link to this record |
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|
|
Author |
Erni, R.; Abakumov, A.M.; Rossell, M.D.; Batuk, D.; Tsirlin, A.A.; Nénert, G.; Van Tendeloo, G. |
Title |
Nanoscale phase separation in perovskites revisited |
Type |
L1 Letter to the editor |
Year |
2014 |
Publication |
Nature materials |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Nat Mater |
Volume |
13 |
Issue |
3 |
Pages |
216-217 |
Keywords |
L1 Letter to the editor; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
|
Language |
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Wos |
000331945200002 |
Publication Date |
2014-02-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1476-1122;1476-4660; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
39.737 |
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 39.737; 2014 IF: 36.503 |
Call Number |
UA @ lucian @ c:irua:114579 |
Serial |
2270 |
Permanent link to this record |
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Author |
Sathiya, M.; Abakumov, A.M.; Foix, D.; Rousse, G.; Ramesha, K.; Saubanère, M.; Doublet, M. .; Vezin, H.; Laisa, C.P.; Prakash, A.S.; Gonbeau, D.; Van Tendeloo, G.; Tarascon, J.M. |
Title |
Origin of voltage decay in high-capacity layered oxide electrodes |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Nature materials |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Nat Mater |
Volume |
14 |
Issue |
14 |
Pages |
230-238 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Although Li-rich layered oxides (Li1+xNiyCozMn1−x−y−zO2 > 250 mAh g−1) are attractive electrode materials providing energy densities more than 15% higher than todays commercial Li-ion cells, they suffer from voltage decay on cycling. To elucidate the origin of this phenomenon, we employ chemical substitution in structurally related Li2RuO3 compounds. Li-rich layered Li2Ru1−yTiyO3 phases with capacities of ~240 mAh g−1 exhibit the characteristic voltage decay on cycling. A combination of transmission electron microscopy and X-ray photoelectron spectroscopy studies reveals that the migration of cations between metal layers and Li layers is an intrinsic feature of the chargedischarge process that increases the trapping of metal ions in interstitial tetrahedral sites. A correlation between these trapped ions and the voltage decay is established by expanding the study to both Li2Ru1−ySnyO3 and Li2RuO3; the slowest decay occurs for the cations with the largest ionic radii. This effect is robust, and the finding provides insights into new chemistry to be explored for developing high-capacity layered electrodes that evade voltage decay. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000348600200024 |
Publication Date |
2014-12-01 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1476-1122;1476-4660; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
39.737 |
Times cited |
395 |
Open Access |
|
Notes |
246791 Countatoms; 312483 Esteem2; esteem2_ta |
Approved |
Most recent IF: 39.737; 2015 IF: 36.503 |
Call Number |
c:irua:132555 c:irua:132555 |
Serial |
2528 |
Permanent link to this record |
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|
|
Author |
Pearce, P.E.; Perez, A.J.; Rousse, G.; Saubanère, M.; Batuk, D.; Foix, D.; McCalla, E.; Abakumov, A.M.; Van Tendeloo, G.; Doublet, M.-L.; Tarascon, J.-M. |
Title |
Evidence for anionic redox activity in a tridimensional-ordered Li-rich positive electrode β-Li2IrO3 |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Nature materials |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Nat Mater |
Volume |
16 |
Issue |
5 |
Pages |
580-586 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Lithium-ion battery cathode materials have relied on cationic redox reactions until the recent discovery of anionic redox activity in Li-rich layered compounds which enables capacities as high as 300 mAh g(-1). In the quest for new high-capacity electrodes with anionic redox, a still unanswered question was remaining regarding the importance of the structural dimensionality. The present manuscript provides an answer. We herein report on a beta-Li2IrO3 phase which, in spite of having the Ir arranged in a tridimensional (3D) framework instead of the typical two-dimensional (2D) layers seen in other Li-rich oxides, can reversibly exchange 2.5 e(-) per Ir, the highest value ever reported for any insertion reaction involving d-metals. We show that such a large activity results from joint reversible cationic (Mn+) and anionic (O-2)(n-) redox processes, the latter being visualized via complementary transmission electron microscopy and neutron diffraction experiments, and confirmed by density functional theory calculations. Moreover, beta-Li2IrO3 presents a good cycling behaviour while showing neither cationic migration nor shearing of atomic layers as seen in 2D-layered Li-rich materials. Remarkably, the anionic redox process occurs jointly with the oxidation of Ir4+ at potentials as low as 3.4 V versus Li+/Li-0, as equivalently observed in the layered alpha-Li2IrO3 polymorph. Theoretical calculations elucidate the electrochemical similarities and differences of the 3D versus 2D polymorphs in terms of structural, electronic and mechanical descriptors. Our findings free the structural dimensionality constraint and broaden the possibilities in designing high-energy-density electrodes for the next generation of Li-ion batteries. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000400004200018 |
Publication Date |
2017-02-27 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
1476-1122 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
39.737 |
Times cited |
|
Open Access |
Not_Open_Access |
Notes |
The authors thank Q. Jacquet for fruitful discussions and V. Pomjakushin for his valuable help in neutron diffraction experiments. This work is based on experiments performed at the Swiss Spallation Neutron Source SINQ, Paul Scherrer Institute, Villigen, Switzerland. Use of the 11-BM mail service of the APS at Argonne National Laboratory was supported by the US Department of Energy under contract No. DE-AC02-06CH11357 and is greatly acknowledged. J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. E.M. acknowledges financial support from the Fonds de Recherche du Quebec-Nature et Technologies. |
Approved |
Most recent IF: 39.737 |
Call Number |
EMAT @ emat @c:irua:147502 |
Serial |
4773 |
Permanent link to this record |
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Author |
Dubrovinsky, L.; Dubrovinskaia, N.; Prakapenka, V.B.; Abakumov, A.M. |
Title |
Implementation of micro-ball nanodiamond anvils for high-pressure studies above 6 Mbar |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Nature communications |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Nat Commun |
Volume |
3 |
Issue |
|
Pages |
1163-1167 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Since invention of the diamond anvil cell technique in the late 1950s for studying materials at extreme conditions, the maximum static pressure generated so far at room temperature was reported to be about 400 GPa. Here we show that use of micro-semi-balls made of nanodiamond as second-stage anvils in conventional diamond anvil cells drastically extends the achievable pressure range in static compression experiments to above 600 GPa. Micro-anvils (10-50 mu m in diameter) of superhard nano-diamond (with a grain size below similar to 50 nm) were synthesized in a large volume press using a newly developed technique. In our pilot experiments on rhenium and gold we have studied the equation of state of rhenium at pressures up to 640 GPa and demonstrated the feasibility and crucial necessity of the in situ ultra high-pressure measurements for accurate determination of material properties at extreme conditions. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000313514100073 |
Publication Date |
2012-10-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
2041-1723; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.124 |
Times cited |
150 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 12.124; 2012 IF: 10.015 |
Call Number |
UA @ lucian @ c:irua:110134 |
Serial |
1563 |
Permanent link to this record |
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Author |
Zhang, B.; Dugas, R.; Rousse, G.; Rozier, P.; Abakumov, A.M.; Tarascon, J.-M. |
Title |
Insertion compounds and composites made by ball milling for advanced sodium-ion batteries |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Nature communications |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Nat Commun |
Volume |
7 |
Issue |
7 |
Pages |
10308 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Sodium-ion batteries have been considered as potential candidates for stationary energy storage because of the low cost and wide availability of Na sources. However, their future commercialization depends critically on control over the solid electrolyte interface formation, as well as the degree of sodiation at the positive electrode. Here we report an easily scalable ball milling approach, which relies on the use of metallic sodium, to prepare a variety of sodium-based alloys, insertion layered oxides and polyanionic compounds having sodium in excess such as the Na4V2(PO4)(2)F-3 phase. The practical benefits of preparing sodium-enriched positive electrodes as reservoirs to compensate for sodium loss during solid electrolyte interphase formation are demonstrated by assembling full C/P'2-Na-1[Fe0.5Mn0.5]O-2 and C/'Na3+xV2(PO4)(2)F-3' sodium-ion cells that show substantial increases (>10%) in energy storage density. Our findings may offer electrode design principles for accelerating the development of the sodium-ion technology. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000369021400002 |
Publication Date |
2016-01-18 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2041-1723 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.124 |
Times cited |
104 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 12.124 |
Call Number |
UA @ lucian @ c:irua:131599 |
Serial |
4197 |
Permanent link to this record |
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|
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Author |
Mefford, J.T.; Rong, X.; Abakumov, A.M.; Hardin, W.G.; Dai, S.; Kolpak, A.M.; Johnston, K.P.; Stevenson, K.J. |
Title |
Water electrolysis on La1-xSrxCoO3-\delta perovskite electrocatalysts |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Nature communications |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Nat Commun |
Volume |
7 |
Issue |
7 |
Pages |
11053 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Perovskite oxides are attractive candidates as catalysts for the electrolysis of water in alkaline energy storage and conversion systems. However, the rational design of active catalysts has been hampered by the lack of understanding of the mechanism of water electrolysis on perovskite surfaces. Key parameters that have been overlooked include the role of oxygen vacancies, B-O bond covalency, and redox activity of lattice oxygen species. Here we present a series of cobaltite perovskites where the covalency of the Co-O bond and the concentration of oxygen vacancies are controlled through Sr2+ substitution into La1 – xSrxCoO3 – delta. We attempt to rationalize the high activities of La1 – xSrxCoO3 – delta through the electronic structure and participation of lattice oxygen in the mechanism of water electrolysis as revealed through ab initio modelling. Using this approach, we report a material, SrCoO2.7, with a high, room temperature-specific activity and mass activity towards alkaline water electrolysis. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000372721700001 |
Publication Date |
2016-03-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2041-1723 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.124 |
Times cited |
278 |
Open Access |
|
Notes |
Financial support for this work was provided by the R.A. Welch Foundation (grants F-1529 and F-1319). X.R. and A.M.K. acknowledge support from the Skoltech-MIT Center for Electrochemical Energy Storage. Computations were performed using computational resources from XSEDE and NERSC. S.D. was supported as part of the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences. We thank D.W. Redman for help with the RHE measurements. |
Approved |
Most recent IF: 12.124 |
Call Number |
UA @ lucian @ c:irua:133242 |
Serial |
4276 |
Permanent link to this record |
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|
|
Author |
Ovsyannikov, S.V.; Bykov, M.; Bykova, E.; Kozlenko, D.P.; Tsirlin, A.A.; Karkin, A.E.; Shchennikov, V.V.; Kichanov, S.E.; Gou, H.; Abakumov, A.M.; Egoavil, R.; Verbeeck, J.; McCammon, C.; Dyadkin, V.; Chernyshov, D.; van Smaalen, S.; Dubrovinsky, L.S. |
Title |
Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Nature chemistry |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Nat Chem |
Volume |
8 |
Issue |
8 |
Pages |
501-508 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Phase transitions that occur in materials, driven, for instance, by changes in temperature or pressure, can dramatically change the materials' properties. Discovering new types of transitions and understanding their mechanisms is important not only from a fundamental perspective, but also for practical applications. Here we investigate a recently discovered Fe4O5 that adopts an orthorhombic CaFe3O5-type crystal structure that features linear chains of Fe ions. On cooling below approximately 150 K, Fe4O5 undergoes an unusual charge-ordering transition that involves competing dimeric and trimeric ordering within the chains of Fe ions. This transition is concurrent with a significant increase in electrical resistivity. Magnetic-susceptibility measurements and neutron diffraction establish the formation of a collinear antiferromagnetic order above room temperature and a spin canting at 85 K that gives rise to spontaneous magnetization. We discuss possible mechanisms of this transition and compare it with the trimeronic charge ordering observed in magnetite below the Verwey transition temperature. |
Address |
Bayerisches Geoinstitut, Universitat Bayreuth, Universitatsstrasse 30, D-95447, Bayreuth, Germany |
Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
English |
Wos |
000374534100019 |
Publication Date |
2016-04-04 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1755-4330 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
25.87 |
Times cited |
51 |
Open Access |
|
Notes |
S.V.O. acknowledges the financial support of the Deutsche Forschungsgemeinschaft (DFG) under project OV-110/1-3. A.E.K. and V.V.S. acknowledge the support of the Russian Foundation for Basic Research (Project 14–02–00622a). H.G. acknowledges the support from the Alexander von Humboldt (AvH) Foundation and the National Natural Science Foundation of China (No. 51201148). A.M.A., R.E. and J.V. acknowledge financial support from the European Commission (EC) under the Seventh Framework Programme (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483- ESTEEM2. R.E. acknowledges support from the EC under FP7 Grant No. 246102 IFOX. A.M.A. acknowledges funding from the Russian Science Foundation (Grant No. 14-13- 00680). A.A.T. acknowledges funding and from the Federal Ministry for Education and Research through the Sofja Kovalevkaya Award of the AvH Foundation. Funding from the Fund for Scientific Research Flanders under FWO Project G.0044.13N is acknowledged. M.B. and S.v.S. acknowledge support from the DFG under Project Sm55/15-2. We acknowledge the European Synchrotron Radiation Facility for the provision of synchrotron radiation facilities.; esteem2jra2; esteem2jra3 |
Approved |
Most recent IF: 25.87 |
Call Number |
c:irua:133593 c:irua:133593UA @ admin @ c:irua:133593 |
Serial |
4068 |
Permanent link to this record |
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Author |
O'Sullivan, M.; Hadermann, J.; Dyer, M.S.; Turner, S.; Alaria, J.; Manning, T.D.; Abakumov, A.M.; Claridge, J.B.; Rosseinsky, M.J. |
Title |
Interface control by chemical and dimensional matching in an oxide heterostructure |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Nature chemistry |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Nat Chem |
Volume |
8 |
Issue |
8 |
Pages |
347-353 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Interfaces between different materials underpin both new scientific phenomena, such as the emergent behaviour at oxide interfaces, and key technologies, such as that of the transistor. Control of the interfaces between materials with the same crystal structures but different chemical compositions is possible in many materials classes, but less progress has been made for oxide materials with different crystal structures. We show that dynamical self-organization during growth can create a coherent interface between the perovskite and fluorite oxide structures, which are based on different structural motifs, if an appropriate choice of cations is made to enable this restructuring. The integration of calculation with experimental observation reveals that the interface differs from both the bulk components and identifies the chemical bonding requirements to connect distinct oxide structures. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000372505500013 |
Publication Date |
2016-02-01 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1755-4330; 1755-4349 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
25.87 |
Times cited |
28 |
Open Access |
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Notes |
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Approved |
Most recent IF: 25.87 |
Call Number |
UA @ lucian @ c:irua:133189 |
Serial |
4199 |
Permanent link to this record |
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Author |
Abakumov, M.A.; Nukolova, N.V.; Sokolsky-Papkov, M.; Shein, S.A.; Sandalova, T.O.; Vishwasrao, H.M.; Grinenko, N.F.; Gubsky, I.L.; Abakumov, A.M.; Kabanov, A.V.; Chekhonin, V.P.; |
Title |
VEGF-targeted magnetic nanoparticles for MRI visualization of brain tumor |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Nanomedicine: nanotechnology, biology and medicine |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Nanomed-Nanotechnol |
Volume |
11 |
Issue |
11 |
Pages |
825-833 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
This work is focused on synthesis and characterization of targeted magnetic nanoparticles as magnetic resonance imaging (MRI) agents for in vivo visualization of gliomas. Ferric oxide (Fe3O4) cores were synthesized by thermal decomposition and coated with bovine serum albumin (BSA) to form nanoparticles with D-eff of 53 +/- 9 nm. The BSA was further cross-linked to improve colloidal stability. Monoclonal antibodies against vascular endothelial growth factor (mAbVEGF) were covalently conjugated to BSA through a polyethyleneglycol linker. Here we demonstrate that 1) BSA coated nanoparticles are stable and non-toxic to different cells at concentration up to 2.5 mg/mL; 2) conjugation of monoclonal antibodies to nanoparticles promotes their binding to VEGF-positive glioma C6 cells in vitro; 3) targeted nanoparticles are effective in MRI visualization of the intracranial glioma. Thus, mAbVEGF-targeted BSA-coated magnetic nanoparticles are promising MRI contrast agents for glioma visualization. (C) 2015 Elsevier Inc. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
S.l. |
Editor |
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Language |
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Wos |
000354559600004 |
Publication Date |
2015-01-31 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1549-9634; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.72 |
Times cited |
62 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.72; 2015 IF: 6.155 |
Call Number |
c:irua:126351 |
Serial |
3838 |
Permanent link to this record |
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Author |
Hendrickx, M.; Paulus, A.; Kirsanova, M.A.; Van Bael, M.K.; Abakumov, A.M.; Hardy, A.; Hadermann, J. |
Title |
The influence of synthesis method on the local structure and electrochemical properties of Li-rich/Mn-rich NMC cathode materials for Li-Ion batteries |
Type |
A1 Journal article |
Year |
2022 |
Publication |
Nanomaterials |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Nanomaterials-Basel |
Volume |
12 |
Issue |
13 |
Pages |
2269-18 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Electrochemical energy storage plays a vital role in combating global climate change. Nowadays lithium-ion battery technology remains the most prominent technology for rechargeable batteries. A key performance-limiting factor of lithium-ion batteries is the active material of the positive electrode (cathode). Lithium- and manganese-rich nickel manganese cobalt oxide (LMR-NMC) cathode materials for Li-ion batteries are extensively investigated due to their high specific discharge capacities (>280 mAh/g). However, these materials are prone to severe capacity and voltage fade, which deteriorates the electrochemical performance. Capacity and voltage fade are strongly correlated with the particle morphology and nano- and microstructure of LMR-NMCs. By selecting an adequate synthesis strategy, the particle morphology and structure can be controlled, as such steering the electrochemical properties. In this manuscript we comparatively assessed the morphology and nanostructure of LMR-NMC (Li1.2Ni0.13Mn0.54Co0.13O2) prepared via an environmentally friendly aqueous solution-gel and co-precipitation route, respectively. The solution-gel (SG) synthesized material shows a Ni-enriched spinel-type surface layer at the {200} facets, which, based on our post-mortem high-angle annual dark-field scanning transmission electron microscopy and selected-area electron diffraction analysis, could partly explain the retarded voltage fade compared to the co-precipitation (CP) synthesized material. In addition, deviations in voltage fade and capacity fade (the latter being larger for the SG material) could also be correlated with the different particle morphology obtained for both materials. |
Address |
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Corporate Author |
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Thesis |
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Place of Publication |
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Wos |
000824547500001 |
Publication Date |
2022-07-01 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2079-4991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.3 |
Times cited |
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Open Access |
Not_Open_Access |
Notes |
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Approved |
Most recent IF: 5.3 |
Call Number |
UA @ admin @ c:irua:189591 |
Serial |
7098 |
Permanent link to this record |
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Author |
Karakulina, O.M.; Demortière, A.; Dachraoui, W.; Abakumov, A.M.; Hadermann, J. |
Title |
In Situ Electron Diffraction Tomography Using a Liquid-Electrochemical Transmission Electron Microscopy Cell for Crystal Structure Determination of Cathode Materials for Li-Ion batteries |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Nano letters |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Nano Lett |
Volume |
18 |
Issue |
10 |
Pages |
6286-6291 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
We demonstrate that changes in the unit cell structure of lithium battery cathode materials during electrochemical cycling in liquid electrolyte can be determined for particles of just a few hundred nanometers in size using in situ transmission electron microscopy (TEM). The atomic coordinates, site occupancies (including lithium occupancy), and cell parameters of the materials can all be reliably quantified. This was achieved using electron diffraction tomography (EDT) in a sealed electrochemical cell with conventional liquid electrolyte (LP30) and LiFePO4 crystals, which have a well-documented charged structure to use as reference. In situ EDT in a liquid environment cell provides a viable alternative to in situ X-ray and neutron diffraction experiments due to the more local character of TEM, allowing for single crystal diffraction data to be obtained from multiphased powder samples and from submicrometer- to nanometer-sized particles. EDT is the first in situ TEM technique to provide information at the unit cell level in the liquid environment of a commercial TEM electrochemical cell. Its application to a wide range of electrochemical experiments in liquid environment cells and diverse types of crystalline materials can be envisaged. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000447355400024 |
Publication Date |
2018-10-10 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1530-6984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
12.712 |
Times cited |
12 |
Open Access |
Not_Open_Access: Available from 08.09.2019
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Notes |
O.M. Karakulina, A.M. Abakumov and J. Hadermann acknowledge support from FWO under grant G040116N. A. Demortière wants to thank the French network on the electrochemical energy storage (RS2E), the Store-Ex Labex, for the financial support. Finally, the Fonds Européen de Développement Régional (FEDER), CNRS, Région Hauts-de-France, and Ministère de l’Education Nationale de l’Enseignement Supérieur et de la Recherche are acknowledged for funding. |
Approved |
Most recent IF: 12.712 |
Call Number |
EMAT @ emat @c:irua:154750 |
Serial |
5063 |
Permanent link to this record |
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Author |
Batuk, D.; de Dobbelaere, C.; Tsirlin, A.A.; Abakumov, A.M.; Hardy, A.; van Bael, M.K.; Greenblatt, M.; Hadermann, J. |
Title |
Crystal structure and magnetic properties of the Cr-doped spiral antiferromagnet BiMnFe2O6 |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Materials research bulletin |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Mater Res Bull |
Volume |
48 |
Issue |
9 |
Pages |
2993-2997 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We report the Cr3+ for Mn3+ substitution in the BiMnFe2O6 structure. The BiCrxMn1-xFe2O6 solid solution is obtained by the solution-gel synthesis technique for the x values up to 0.3. The crystal structure investigation using a combination of X-ray powder diffraction and transmission electron microscopy demonstrates that the compounds retain the parent BiMnFe2O6 structure (for x = 0.3, a = 5.02010(6)angstrom, b = 7.06594(7)angstrom, c = 12.6174(1)angstrom, S.G. Pbcm, R-1 = 0.036, R-p = 0.011) with only a slight decrease in the cell parameters associated with the Cr3+ for Mn3+ substitution. Magnetic susceptibility measurements suggest strong similarities in the magnetic behavior of BiCrxMn1-xFe2O6 (x = 0.2; 0.3) and parent BiMnFe2O6. Only T-N slightly decreases upon Cr doping that indicates a very subtle influence of Cr3+ cations on the magnetic properties at the available substitution rates. (C) 2013 Elsevier Ltd. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000322354000002 |
Publication Date |
2013-04-26 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0025-5408; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.446 |
Times cited |
3 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: 2.446; 2013 IF: 1.968 |
Call Number |
UA @ lucian @ c:irua:109755 |
Serial |
561 |
Permanent link to this record |
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Author |
Serov, T.V.; Dombrovski, E.N.; Ardashnikova, E.I.; Dolgikh, V.A.; el Omari, M.; el Omari, M.; Abaouz, A.; Senegas, J.; Chaban, N.G.; Abakumov, A.M.; Van Tendeloo, G. |
Title |
Fluorite-like phases in the BaF2-BiF3-Bi2O3 system-synthesis, conductivity and defect clustering |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Materials research bulletin |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Mater Res Bull |
Volume |
40 |
Issue |
5 |
Pages |
821-830 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Wos |
000229376500012 |
Publication Date |
2005-03-01 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0025-5408; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.446 |
Times cited |
4 |
Open Access |
|
Notes |
Iap V-1 |
Approved |
Most recent IF: 2.446; 2005 IF: 1.380 |
Call Number |
UA @ lucian @ c:irua:54838 |
Serial |
1240 |
Permanent link to this record |
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Author |
Batuk, M.; Tyablikov, O.A.; Tsirlin, A.A.; Kazakov, S.M.; Rozova, M.G.; Pokholok, K.V.; Filimonov, D.S.; Antipov, E.V.; Abakumov, A.M.; Hadermann, J. |
Title |
Structure and magnetic properties of a new anion-deficient perovskite Pb2Ba2BiFe4ScO13 with crystallographic shear structure |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Materials research bulletin |
Abbreviated Journal ![sorted by Abbreviated Journal field, descending order (down)](img/sort_desc.gif) |
Mater Res Bull |
Volume |
48 |
Issue |
9 |
Pages |
3459-3465 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Pb2Ba2BiFe4ScO13, a new n = 5 member of the oxygen-deficient perovskite-based A(n)B(n)O(3n-2) homologous series, was synthesized using a solid-state method. The crystal structure of Pb2Ba2BiFe4ScO13 was investigated by a combination of synchrotron X-ray powder diffraction, electron diffraction, high-angle annular dark-field scanning transmission electron microscopy and Mossbauer spectroscopy. At 900 K, it crystallizes in the Ammm space group with the unit cell parameters a = 5.8459(1) angstrom, b = 4.0426(1) angstrom, and c=27.3435(1) angstrom. In the Pb2Ba2BiFe4ScO13 structure, quasi-two-dimensional perovskite blocks are periodically interleaved with 1/2[1 1 0] ((1) over bar 0 1)(p) crystallographic shear (CS) planes. At the CS planes, the corner-sharing FeO6 octahedra are transformed into chains of edge-sharing FeO5 distorted tetragonal pyramids. B-positions of the perovskite blocks between the CS planes are jointly occupied by Fe3+ and Sc3+. The chains of the FeO5 pyramids and (Fe,Sc)O-6 octahedra delimit six-sided tunnels that are occupied by double columns of cations with a lone electron pair (Pb2+). The remaining A-cations (Bi3+, Ba2+) occupy positions in the perovskite block. According to the magnetic susceptibility measurements, Pb2Ba2BiFe4ScO13 is antiferromagnetically ordered below T-N approximate to 350 K. (C) 2013 Elsevier Ltd. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000322354000076 |
Publication Date |
2013-05-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0025-5408; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.446 |
Times cited |
2 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.446; 2013 IF: 1.968 |
Call Number |
UA @ lucian @ c:irua:109756 |
Serial |
3282 |
Permanent link to this record |