Home << 1 2 >>
List View
 | 
Citations
 | 
Details
   web
Records
Author Abakumov, A.M.; Tsirlin, A.A.; Bakaimi, I.; Van Tendeloo, G.; Lappas, A.
Title Multiple twinning as a structure directing mechanism in layered rock-salt-type oxides : NaMnO2 polymorphism, redox potentials, and magnetism Type A1 Journal article
Year 2014 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 26 Issue 10 Pages 3306-3315
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) New polymorphs of NaMnO2 have been observed using transmission electron microscopy and synchrotron X-ray powder diffraction. Coherent twin planes confined to the (NaMnO2) layers, parallel to the (10 (1) over bar) crystallographic planes of the monoclinic layered rock-salt-type alpha-NaMnO2 (O3) structure, form quasi-periodic modulated sequences, with the known alpha-and beta-NaMnO2 polymorphs as the two limiting cases. The energy difference between the polymorphic forms, estimated using a DFT-based structure relaxation, is on the scale of the typical thermal energies that results in a high degree of stacking disorder in these compounds. The results unveil the remarkable effect of the twin planes on both the magnetic and electrochemical properties. The polymorphism drives the magnetic ground state from a quasi-1D spin system for the geometrically frustrated alpha-polymorph through a two-leg spin ladder for the intermediate stacking sequence toward a quasi-2D magnet for the beta-polymorph. A substantial increase of the equilibrium potential for Na deintercalation upon increasing the concentration of the twin planes is calculated, providing a possibility to tune the electrochemical potential of the layered rock-salt ABO(2) cathodes by engineering the materials with a controlled concentration of twins.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000336637000036 Publication Date 2014-05-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 35 Open Access
Notes Approved Most recent IF: 9.466; 2014 IF: 8.354
Call Number UA @ lucian @ c:irua:117766 Serial 2232
Permanent link to this record
 
 
Author Batuk, M.; Batuk, D.; Tsirlin, A.A.; Filimonov, D.S.; Sheptyakov, D.V.; Frontzek, M.; Hadermann, J.; Abakumov, A.M.
Title Layered oxychlorides [PbBiO2]An+1BnO3n-1Cl2(A = Pb/Bi, B = Fe/Ti) : intergrowth of the hematophanite and sillen phases Type A1 Journal article
Year 2015 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 27 Issue 27 Pages 2946-2956
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) New layered structures corresponding to the general formula [PbBiO2]A(n+1)B(n)O(3n-1)Cl(2) Were prepared. Pb5BiFe3O10Cl2 (n = 3) and Pb5Bi2Fe4O13Cl2 (n = 4) are built as a stacking of truncated A(n+1)B(n)O(3n-1) perovskite blocks and alpha-PbO-type [A(2)O(2)](2+) (A = Pb, Bi) blocks combined with chlorine sheets. The alternation of these structural blocks can be represented as an intergrowth between the hematophanite and Sullen-type structural blocks. The crystal and-Magnetic structures of Pb5BiFe3O10Cl2 and Pb5Bi2Fe4O13Cl2 were investigated in the temperature range of 1.5-700 K using X-ray and neutron powder diffraction, transmission electron microscopy and Fe-57 Mossbauer spectroscopy. Both compounds crystallize in the I4/mmm space group with the unit cell parameters a approximate to a(p) approximate to 3.92 angstrom (a unit-cell parameter of the perovskite-structure), c approximate to 43.0 angstrom for the n = 3 member and c approximate to 53.5 angstrom for the n = 4 member. Despite the large separation between the slabs containing the Fe3+ ions (nearly 14 angstrom), long-range antiferromagnetic order sets in below similar to 600 K with the G-type arrangement of the Fe magnetic moments aligned along the c-axis. The possibility of mixing d(0) and d(n) cations at the B sublattice of these structures was also demonstrated by preparing the Ti-substituted n = 4 member Pb6BiFe3TiO13Cl2.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000353865800028 Publication Date 2015-03-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 11 Open Access
Notes Approved Most recent IF: 9.466; 2015 IF: 8.354
Call Number c:irua:126060 Serial 1807
Permanent link to this record
 
 
Author Mikhailova, D.; Karakulina, O.M.; Batuk, D.; Hadermann, J.; Abakumov, A.M.; Herklotz, M.; Tsirlin, A.A.; Oswald, S.; Giebeler, L.; Schmidt, M.; Eckert, J.; Knapp, M.; Ehrenberg, H.
Title Layered-to-Tunnel Structure Transformation and Oxygen Redox Chemistry in LiRhO2upon Li Extraction and Insertion Type A1 Journal article
Year 2016 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 55 Issue 55 Pages 7079-7089
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) Layered Li(M,Li)O2 (where M is a transition metal) ordered rock-salt-type structures are used in advanced metal-ion batteries as one of the best hosts for the reversible intercalation of Li ions. Besides the conventional redox reaction involving oxidation/reduction of the M cation upon Li extraction/insertion, creating oxygen-located holes because of the partial oxygen oxidation increases capacity while maintaining the oxidized oxygen species in the lattice through high covalency of the M–O bonding. Typical degradation mechanism of the Li(M,Li)O2 electrodes involves partially irreversible M cation migration toward the Li positions, resulting in gradual capacity/voltage fade. Here, using LiRhO2 as a model system (isostructural and isoelectronic to LiCoO2), for the first time, we demonstrate an intimate coupling between the oxygen redox and M cation migration. A formation of the oxidized oxygen species upon electrochemical Li extraction coincides with transformation of the layered Li1–xRhO2 structure into the γ-MnO2-type rutile–ramsdellite intergrowth LiyRh3O6 structure with rutile-like [1 × 1] channels along with bigger ramsdellite-like [2 × 1] tunnels through massive and concerted Rh migration toward the empty positions in the Li layers. The oxidized oxygen dimers with the O–O distances as short as 2.26 Å are stabilized in this structure via the local Rh–O configuration reminiscent to that in the μ-peroxo-μ-hydroxo Rh complexes. The LiyRh3O6 structure is remarkably stable upon electrochemical cycling illustrating that proper structural implementation of the oxidized oxygen species can open a pathway toward deliberate employment of the anion redox chemistry in high-capacity/high-voltage positive electrodes for metal-ion batteries. Upon chemical or electrochemical oxidation, layered LiRhO2 shows a unique structural transformation that involves both cation migration and oxidation of oxygen resulting in a stable tunnel-like rutile−ramsdellite intergrowth LiyRh3O6 structure. This structure demonstrates excellent performance with the steady and reversible capacity of ∼200 mAh/g. The stability of LiyRh3O6 is rooted in the accommodation of partially oxidized oxygen species through the formation of short O−O distances that are compatible with the connectivity of RhO6 octahedra.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000380181400035 Publication Date 2016-07-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 12 Open Access
Notes Bundesministerium fur Bildung und Forschung, 03SF0477B ; Fonds Wetenschappelijk Onderzoek, G040116N ; Approved Most recent IF: 4.857
Call Number EMAT @ emat @ c:irua:140848 Serial 4424
Permanent link to this record
 
 
Author Hadermann, J.; Abakumov, A.M.; Tsirlin, A.A.; Rozova, M.G.; Sarakinou, E.; Antipov, E.V.
Title Expanding the Ruddlesden-Popper manganite family : the n=3 La3.2Ba0.8Mn3O10 Member Type A1 Journal article
Year 2012 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 51 Issue 21 Pages 11487-11492
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) La3.2Ba0.8Mn3O10, a representative of the rare n = 3 members of the Ruddlesden-Popper manganites A(n+1)Mn(n)O(3n+1), was synthesized in an evacuated sealed silica tube. Its crystal structure was refined from a combination of powder X-ray diffraction (PXD) and precession electron diffraction (PED) data, with the rotations of the MnO6 octahedra described within the symmetry-adapted mode approach (space group Cccm, a = 29.068(1) angstrom, b = 5.5504(5) angstrom, c = 5.5412(5) angstrom; PXD RF = 0.053, RP = 0.026; PED RF = 0.248). The perovskite block in La3.2Ba0.8Mn3O10 features an octahedral tilting distortion with out-of-phase rotations of the Mn06 octahedra according to the (Phi,Phi,0)(Phi,Phi,0) mode, observed for the first time in the n = 3 Ruddlesden-Popper structures. The Mn06 octahedra demonstrate a noticeable deformation with the elongation of two apical Mn-O bonds due to the Jahn-Teller effect in the Mn3+ cations. The relationships between the octahedral tilting distortion, the ionic radii of the cations at the A- and B-positions, and the mismatch between the perovslcite and rock-salt blocks of the Ruddlesden-Popper structure are discussed. At low temperatures, La3.2Ba0.8Mn3O10 reveals a sizable remnant magnetization of about 1.3 mu(B)/Mn at 2K, and shows signatures of spin freezing below 150 K.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000313220200036 Publication Date 2012-10-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 2 Open Access
Notes Approved Most recent IF: 4.857; 2012 IF: 4.593
Call Number UA @ lucian @ c:irua:110121 Serial 1133
Permanent link to this record
 
 
Author Ovsyannikov, S.V.; Abakumov, A.M.; Tsirlin, A.A.; Schnelle, W.; Egoavil, R.; Verbeeck, J.; Van Tendeloo, G.; Glazyrin, K.V.; Hanfland, M.; Dubrovinsky, L.
Title Perovskite-like Mn2O3 : a path to new manganites Type A1 Journal article
Year 2013 Publication Angewandte Chemie Abbreviated Journal Angew Chem Int Edit
Volume 52 Issue 5 Pages 1494-1498
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) Korund-artiges ε-Mn2O3 und Perowskit-artiges ζ-Mn2O3, zwei neue Phasen von Mn2O3, wurden unter hohen Drücken bei hohen Temperaturen synthetisiert. Die Manganatome können vollständig die A- und B-Positionen der Perowskitstruktur besetzen. ζ-Mn2O3 (siehe Bild, A-Positionsordnung) enthält Mn in den drei Oxidationsstufen +II, +III und +IV.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000313913300027 Publication Date 2012-12-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1433-7851; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.994 Times cited 84 Open Access
Notes This work was supported by the DFG (project OV-110/1-1), Alexander von Humboldt foundation, European Union Council (FP7)-Grant no. 246102 IFOX, European Research Council (FP7)-ERC Starting Grant no. 278510 VORTEX and ERC Grant no. 246791-COUNTATOMS, and Hercules fund from the Flemish Government. ECASJO_; Approved Most recent IF: 11.994; 2013 IF: 11.336
Call Number UA @ lucian @ c:irua:108765UA @ admin @ c:irua:108765 Serial 2573
Permanent link to this record
 
 
Author Rozova, M.G.; Grigoriev, V.V.; Bobrikov, I.A.; Filimonov, D.S.; Zakharov, K.V.; Volkova, O.S.; Vasiliev, A.N.; Antipov, E.V.; Tsirlin, A.A.; Abakumov, A.M.
Title Synthesis, structure and magnetic ordering of the mullite-type Bi2Fe4-xCrxO9 solid solutions with a frustrated pentagonal Cairo lattice Type A1 Journal article
Year 2016 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal Dalton T
Volume 45 Issue 45 Pages 1192-1200
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) Highly homogeneous mullite-type solid solutions Bi2Fe4-xCrxO9 (x = 0.5, 1, 1.2) were synthesized using a soft chemistry technique followed by a solid-state reaction in Ar. The crystal structure of Bi2Fe3CrO9 was investigated using X-ray and neutron powder diffraction, transmission electron microscopy and Fe-57 Mossbauer spectroscopy (S.G. Pbam, a = 7.95579(9) angstrom , b = 8.39145(9) angstrom, c = 5.98242(7) angstrom, R-F(X-ray) = 0.022, R-F(neutron) = 0.057). The ab planes in the structure are tessellated with distorted pentagonal loops built up by three tetrahedrally coordinated Fe sites and two octahedrally coordinated Fe/Cr sites, linked together in the ab plane by corner-sharing forming a pentagonal Cairo lattice. Magnetic susceptibility measurements and powder neutron diffraction show that the compounds order antiferromagnetically (AFM) with the Neel temperatures decreasing upon increasing the Cr content from T-N similar to 250 K for x = 0 to T-N similar to 155 K for x = 1.2. The magnetic structure of Bi2Fe3CrO9 at T = 30 K is characterized by a propagation vector k = (1/2,1/2,1/2). The tetrahedrally coordinated Fe cations form singlet pairs within dimers of corner-sharing tetrahedra, but spins on the neighboring dimers are nearly orthogonal. The octahedrally coordinated (Fe, Cr) cations form antiferromagnetic up-up-down-down chains along c, while the spin arrangement in the ab plane is nearly orthogonal between nearest neighbors and collinear between second neighbors. The resulting magnetic structure is remarkably different from the one in pure Bi2Fe4O9 and features several types of spin correlations even on crystallographically equivalent exchange that may be caused by the simultaneous presence of Fe and Cr on the octahedral site.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000367614700041 Publication Date 2015-11-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0300-9246; 1477-9226; 1472-7773 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.029 Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:131095 Serial 4257
Permanent link to this record
 
 
Author Navulla, A.; Tsirlin, A.A.; Abakumov, A.M.; Shpanchenko, R.V.; Zhang, H.; Dikarev, E.V.
Title Fluorinated heterometallic \beta-diketonates as volatile single-source precursors for the synthesis of low-valent mixed-metal fluorides Type A1 Journal article
Year 2011 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume 133 Issue 4 Pages 692-694
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) Hexafluoroacetylacetonates that contain lead and divalent first-row transition metals, PbM(hfac)4 (M = Ni (1), Co (2), Mn (3), Fe (4), and Zn (5)), have been synthesized. Their heterometallic structures are held together by strong Lewis acid−base interactions between metal atoms and diketonate ligands acting in chelating−bridging fashion. Compounds 1−5 are highly volatile and decompose below 350 °C. Fluorinated heterometallic β-diketonates have been used for the first time as volatile single-source precursors for the preparation of mixed-metal fluorides. Complex fluorides of composition Pb2MF6 have been obtained by decomposition of 1−5 in a two-zone furnace under low-pressure nitrogen flow. Lead−transition metal fluorides conform to orthorhombically distorted Aurivillius-type structure with layers of corner-sharing [MF6] octahedra separated by α-PbO-type (Pb2F2) blocks. Pb2NiF6 and Pb2CoF6 were found to exhibit magnetic ordering below 80 and 43 K, respectively. The ordering is antiferromagnetic, with a weak, uncompensated moment due to the canting of spins. The Pb2MF6 fluorides represent a new class of prospective magnetoelectric materials combining transition metals and lone-pair main-group cations.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000287295300015 Publication Date 2010-12-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 28 Open Access
Notes Approved Most recent IF: 13.858; 2011 IF: 9.907
Call Number UA @ lucian @ c:irua:88820 Serial 1236
Permanent link to this record
 
 
Author Batuk, D.; Batuk, M.; Abakumov, A.M.; Tsirlin, A.A.; McCammon, C.M.; Dubrovinsky, L.; Hadermann, J.
Title Effect of lone-electron-pair cations on the orientation of crystallographic shear planes in anion-deficient perovskites Type A1 Journal article
Year 2013 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 52 Issue 17 Pages 10009-10020
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) Factors affecting the structure and orientation of the crystallographic shear (CS) planes in anion-deficient perovskites are investigated using the (Pb1−zSrz)1−xFe1+xO3−y perovskites as a model system. The orientation of the CS planes in the system varies unevenly with z. A comparison of the structures with different CS planes revels that the orientation of the CS planes is governed mainly by the stereochemical activity of the lone-electron-pair cations inside the perovskite blocks.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000326129000037 Publication Date 2013-08-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 11 Open Access
Notes Fwo Approved Most recent IF: 4.857; 2013 IF: 4.794
Call Number UA @ lucian @ c:irua:111394 Serial 822
Permanent link to this record
 
 
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 Phys Rev B
Volume 84 Issue 1 Pages 014429-014429,16
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) 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
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000293247400008 Publication Date 2011-07-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 47 Open Access
Notes Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:91770 Serial 2588
Permanent link to this record
 
 
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 Phys Rev B
Volume 81 Issue 17 Pages 174424,1-174424,13
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) 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.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000278141600082 Publication Date 2010-05-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
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
 
 
Author Ovsyannikov, S.V.; Karkin, A.E.; Morozova, N.V.; Shchennikov, V.V.; Bykova, E.; Abakumov, A.M.; Tsirlin, A.A.; Glazyrin, K.V.; Dubrovinsky, L.
Title A hard oxide semiconductor with a direct and narrow bandgap and switchable pn electrical conduction Type A1 Journal article
Year 2014 Publication Advanced materials Abbreviated Journal Adv Mater
Volume 26 Issue 48 Pages 8185-8191
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract (down) An oxide semiconductor (perovskite-type Mn2O3) is reported which has a narrow and direct bandgap of 0.45 eV and a high Vickers hardness of 15 GPa. All the known materials with similar electronic band structures (e.g., InSb, PbTe, PbSe, PbS, and InAs) play crucial roles in the semiconductor industry. The perovskite-type Mn2O3 described is much stronger than the above semiconductors and may find useful applications in different semiconductor devices, e.g., in IR detectors.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000346480800016 Publication Date 2014-10-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0935-9648; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 19.791 Times cited 27 Open Access
Notes Approved Most recent IF: 19.791; 2014 IF: 17.493
Call Number UA @ lucian @ c:irua:122230 Serial 1408
Permanent link to this record
 
 
Author Tyablikov, O.A.; Batuk, D.; Tsirlin, A.A.; Batuk, M.; Verchenko, V.Y.; Filimonov, D.S.; Pokholok, K.V.; Sheptyakov, D.V.; Rozova, M.G.; Hadermann, J.; Antipov, E.V.; Abakumov, A.M.;
Title {110}-Layered B-cation ordering in the anion-deficient perovskite Pb2.4Ba2.6Fe2Sc2TiO13 with the crystallographic shear structure Type A1 Journal article
Year 2015 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal Dalton T
Volume 44 Issue 44 Pages 10753-10762
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) A novel anion-deficient perovskite-based compound, Pb2.4Ba2.6Fe2Sc2TiO13, was synthesized via the citrate-based route. This compound is an n = 5 member of the A(n)B(n)O(3n-2) homologous series with unit-cell parameters related to the perovskite subcell a(p) approximate to 4.0 angstrom as a(p)root 2 x a(p) x 5a(p)root 2. The crystal structure of Pb2.4Ba2.6Fe2Sc2TiO13 consists of quasi-2D perovskite blocks with a thickness of three octahedral layers separated by the 1/2[110]((1) over bar 01)(p) crystallographic shear (CS) planes, which are parallel to the {110} plane of the perovskite subcell. The CS planes transform the corner-sharing octahedra into chains of edge-sharing distorted tetragonal pyramids. Using a combination of neutron powder diffraction, Fe-57 Mossbauer spectroscopy and atomic resolution electron energy-loss spectroscopy we demonstrate that the B-cations in Pb2.4Ba2.6Fe2Sc2TiO13 are ordered along the {110} perovskite layers with Fe3+ in distorted tetragonal pyramids along the CS planes, Ti4+ preferentially in the central octahedra of the perovskite blocks and Sc3+ in the outer octahedra of the perovskite blocks. Magnetic susceptibility and Mossbauer spectroscopy indicate a broadened magnetic transition around T-N similar to 45 K and the onset of local magnetic fields at low temperatures. The magnetic order is probably reminiscent of that in other A(n)B(n)O(3n-2) homologues, where G-type AFM order within the perovskite blocks has been observed.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000355701000026 Publication Date 2015-01-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1477-9226;1477-9234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.029 Times cited 1 Open Access
Notes Approved Most recent IF: 4.029; 2015 IF: 4.197
Call Number c:irua:127001 Serial 22
Permanent link to this record
 
 
Author d' Hondt, H.; Hadermann, J.; Abakumov, A.M.; Kalyuzhnaya, A.S.; Rozova, M.G.; Tsirlin, A.A.; Tan, H.; Verbeeck, J.; Antipov, E.V.; Van Tendeloo, G.
Title Synthesis, crystal structure and magnetic properties of the Sr2Al0.78Mn1.22O5.2 anion-deficient layered perovskite Type A1 Journal article
Year 2009 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 182 Issue 2 Pages 356-363
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) A new layered perovskite Sr2Al0.78Mn1.22O5.2 has been synthesized by solid state reaction in a sealed evacuated silica tube. The crystal structure has been determined using electron diffraction, high-resolution electron microscopy, and high-angle annular dark field imaging and refined from X-ray powder diffraction data (space group P4/mmm, a=3.89023(5) Å, c=7.8034(1) Å, RI=0.023, RP=0.015). The structure is characterized by an alternation of MnO2 and (Al0.78Mn0.22)O1.2 layers. Oxygen atoms and vacancies, as well as the Al and Mn atoms in the (Al0.78Mn0.22)O1.2 layers are disordered. The local atomic arrangement in these layers is suggested to consist of short fragments of brownmillerite-type tetrahedral chains of corner-sharing AlO4 tetrahedra interrupted by MnO6 octahedra, at which the chain fragments rotate over 90°. This results in an averaged tetragonal symmetry. This is confirmed by the valence state of Mn measured by EELS. The relationship between the Sr2Al0.78Mn1.22O5.2 tetragonal perovskite and the parent Sr2Al1.07Mn0.93O5 brownmillerite is discussed. Magnetic susceptibility measurements indicate spin glass behavior of Sr2Al0.78Mn1.22O5.2. The lack of long-range magnetic ordering contrasts with Mn-containing brownmillerites and is likely caused by the frustration of interlayer interactions due to presence of the Mn atoms in the (Al0.78Mn0.22)O1.2 layers.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000263124700022 Publication Date 2008-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited 12 Open Access
Notes Iap Vi Approved Most recent IF: 2.299; 2009 IF: 2.340
Call Number UA @ lucian @ c:irua:72943 Serial 3450
Permanent link to this record
 
 
Author Abakumov, A.M.; Hadermann, J.; Batuk, M.; d' Hondt, H.; Tyablikov, O.A.; Rozova, M.G.; Pokholok, K.V.; Filimonov, D.S.; Sheptyakov, D.V.; Tsirlin, A.A.; Niermann, D.; Hemberger, J.; Van Tendeloo, G.; Antipov, E.V.
Title Slicing the Perovskite structure with crystallographic shear planes : the AnBnO3n-2 homologous series Type A1 Journal article
Year 2010 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 49 Issue 20 Pages 9508-9516
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) A new AnBnO3n−2 homologous series of anion-deficient perovskites has been evidenced by preparation of the members with n = 5 (Pb2.9Ba2.1Fe4TiO13) and n = 6 (Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16) in a single phase form. The crystal structures of these compounds were determined using a combination of transmission electron microscopy and X-ray and neutron powder diffraction (S.G. Ammm, a = 5.74313(7), b = 3.98402(4), c = 26.8378(4) Å, RI = 0.035, RP = 0.042 for Pb2.9Ba2.1Fe4TiO13 and S.G. Imma, a = 5.7199(1), b = 3.97066(7), c = 32.5245(8) Å, RI = 0.032, RP = 0.037 for Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16). The crystal structures of the AnBnO3n−2 homologues are formed by slicing the perovskite structure with (01)p crystallographic shear (CS) planes. The shear planes remove a layer of oxygen atoms and displace the perovskite blocks with respect to each other by the 1/2[110]p vector. The CS planes introduce edge-sharing connections of the transition metal−oxygen polyhedra at the interface between the perovskite blocks. This results in intrinsically frustrated magnetic couplings between the perovskite blocks due to a competition of the exchange interactions between the edge- and the corner-sharing metal−oxygen polyhedra. Despite the magnetic frustration, neutron powder diffraction and Mssbauer spectroscopy reveal that Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 are antiferromagnetically ordered below TN = 407 and 343 K, respectively. The Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 compounds are in a paraelectric state in the 5−300 K temperature range.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000282783400051 Publication Date 2010-09-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 23 Open Access
Notes Esteem 026019; Fwo Approved Most recent IF: 4.857; 2010 IF: 4.326
Call Number UA @ lucian @ c:irua:84963 Serial 3041
Permanent link to this record
 
 
Author Verchenko, V.Y.; Wei, Z.; Tsirlin, A.A.; Callaert, C.; Jesche, A.; Hadermann, J.; Dikarev, E.V.; Shevelkov, A.V.
Title Crystal growth of the Nowotny chimney ladder phase Fe2Ge3 : exploring new Fe-based narrow-gap semiconductor with promising thermoelectric performance Type A1 Journal article
Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 29 Issue 23 Pages 9954-9963
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down) <script type='text/javascript'>document.write(unpmarked('A new synthetic approach based on chemical transport reactions has been introduced to obtain the Nowotny chimney ladder phase Fe2Ge3 in the form of single crystals and polycrystalline powders. The single crystals possess the stoichiometric composition and the commensurate chimney ladder structure of the Ru2Sn3 type in contrast to the polycrystalline samples that are characterized by a complex microstructure. In compliance with the 18-n electron counting rule formulated for T-E intermetallics, electronic structure calculations reveal a narrow-gap semiconducting behavior of Fe2Ge3 favorable for high thermoelectric performance. Measurements of transport and thermoelectric properties performed on the polycrystalline samples confirm the formation of a narrow band gap of similar to 30 meV and reveal high absolute values of the Seebeck coefficient at elevated temperatures. Low glass-like thermal conductivity is observed in a wide temperature range that might be caused by the underlying complex microstructure.'));
Address
Corporate Author Thesis
Publisher American Chemical Society Place of Publication Washington, D.C Editor
Language Wos 000418206600013 Publication Date 2017-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 11 Open Access OpenAccess
Notes ; The authors thank Dr. Sergey Kazakov and Oleg Tyablikov for their help with the PXRD experiments. V.Y.V. appreciates the help of Dr. Sergey Dorofeev in provision and handling of the Mo(CO)<INF>6</INF> reagent. The work is supported by the Russian Science Foundation, Grant No. 17-13-01033. V.Y.V. appreciates the support from the European Regional Development Fund, Project No. TK134. A.A.T. acknowledges financial support by the Federal Ministry for Education and Research under the Sofia Kovalevskaya Award of the Alexander von Humboldt Foundation. E.V.D. thanks the National Science Foundation, Grant No. CHE-1152441. C.C. acknowledges the support from the University of Antwerp through the BOF Grant No. 31445. ; Approved Most recent IF: 9.466
Call Number UA @ lucian @ c:irua:148531 Serial 4869
Permanent link to this record
 
 
Author Karakulina, O.M.; Khasanova, N.R.; Drozhzhin, O.A.; Tsirlin, A.A.; Hadermann, J.; Antipov, E.V.; Abakumov, A.M.
Title Antisite Disorder and Bond Valence Compensation in Li2FePO4F Cathode for Li-Ion Batteries Type A1 Journal article
Year 2016 Publication Chemistry Of Materials Abbreviated Journal Chem Mater
Volume 28 Issue 28 Pages 7578-7581
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down)
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000387518500004 Publication Date 2016-11-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 10 Open Access
Notes Russian Science Foundation, 16-19-00190 ; Fonds Wetenschappelijk Onderzoek, G040116N ; Approved Most recent IF: 9.466
Call Number EMAT @ emat @ c:irua:139170 c:irua:138599 Serial 4320
Permanent link to this record
 
 
Author Tsirlin, A.A.; Chernaya, V.V.; Shpanchenko, R.V.; Antipov, E.V.; Hadermann, J.
Title Crystal structure and properties of the new complex vanadium oxide K2SrV3O9 Type A1 Journal article
Year 2005 Publication Materials research bulletin Abbreviated Journal Mater Res Bull
Volume 40 Issue 5 Pages 800-809
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down)
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000229376500010 Publication Date 2005-03-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0025-5408; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.446 Times cited 9 Open Access
Notes Approved Most recent IF: 2.446; 2005 IF: 1.380
Call Number UA @ lucian @ c:irua:52373 Serial 564
Permanent link to this record
 
 
Author Chernaya, V.V.; Tsirlin, A.A.; Shpanchenko, R.V.; Antipov, E.V.; Gippius, A.A.; Morozova, E.N.; Dyakov, V.; Hadermann, J.; Kaul, E.E.; Geibel, C.
Title Crystal structure and properties of the new vanadyl(IV)phosphates Na2MVO(PO4)2 M=Ca and Sr Type A1 Journal article
Year 2004 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 177 Issue Pages 2875-2880
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down)
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000223145500033 Publication Date 2004-08-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited 6 Open Access
Notes Approved Most recent IF: 2.299; 2004 IF: 1.815
Call Number UA @ lucian @ c:irua:47317 Serial 565
Permanent link to this record
 
 
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 Nat Mater
Volume 13 Issue 3 Pages 216-217
Keywords L1 Letter to the editor; Electron microscopy for materials research (EMAT)
Abstract (down)
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000331945200002 Publication Date 2014-02-20
Series Editor Series Title Abbreviated Series Title
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
 
 
Author Abakumov, A.M.; Erni, R.; Tsirlin, A.A.
Title Reply to Comment on “Frustrated octahedral tilting distortion in the incommensurately modulated Li3xNd2/3-xTiO3 perovskites” Type Editorial
Year 2014 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 26 Issue 2 Pages 1288
Keywords Editorial; Electron microscopy for materials research (EMAT)
Abstract (down)
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000330543600051 Publication Date 2014-01-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 1 Open Access
Notes Approved Most recent IF: 9.466; 2014 IF: 8.354
Call Number UA @ lucian @ c:irua:115730 Serial 2874
Permanent link to this record
 
 
Author Tsirlin, A.A.; Shpanchenko, R.V.; Antipov, E.V.; Bougerol, C.; Hadermann, J.; Van Tendeloo, G.; Schnelle, W.; Rosner, H.
Title Spin ladder compound Pb0.55Cd0.45V2O5: synthesis and investigation Type A1 Journal article
Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 76 Issue 10 Pages 104429,1-7
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract (down)
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000249786300074 Publication Date 2007-09-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 1 Open Access
Notes Approved Most recent IF: 3.836; 2007 IF: 3.172
Call Number UA @ lucian @ c:irua:65594 Serial 3091
Permanent link to this record