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	Author	Abakumov, A.M.; Batuk, M.; Tsirlin, A.A.; Tyablikov, O.A.; Sheptyakov, D.V.; Filimonov, D.S.; Pokholok, K.V.; Zhidal, V.S.; Rozova, M.G.; Antipov, E.V.; Hadermann, J.; Van Tendeloo, G.;
	Title	Structural and magnetic phase transitions in the A_nB_nO_3n-2 anion-deficient perovskites Pb₂Ba₂BiFe₅O₁₃ and Pb_1.5Ba_2.5Bi₂Fe₆O₁₆			Type	A1 Journal article
	Year	2013	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	52	Issue	14	Pages	7834-7843
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Novel anion-deficient perovskite-based ferrites Pb2Ba2BiFe5O13 and Pb1.5Ba2.5Bi2Fe6O16 were synthesized by solid-state reaction in air. Pb2Ba2BiFe5O13 and Pb1.5Ba2.5Bi2Fe6O16 belong to the perovskite-based AnBnO3n2 homologous series with n = 5 and 6, respectively, with a unit cell related to the perovskite subcell ap as ap√2 × ap × nap√2. Their structures are derived from the perovskite one by slicing it with 1/2[110]p(1̅01)p crystallographic shear (CS) planes. The CS operation results in (1̅01)p-shaped perovskite blocks with a thickness of (n 2) FeO6 octahedra connected to each other through double chains of edge-sharing FeO5 distorted tetragonal pyramids which can adopt two distinct mirror-related configurations. Ordering of chains with a different configuration provides an extra level of structure complexity. Above T ≈ 750 K for Pb2Ba2BiFe5O13 and T ≈ 400 K for Pb1.5Ba2.5Bi2Fe6O16 the chains have a disordered arrangement. On cooling, a second-order structural phase transition to the ordered state occurs in both compounds. Symmetry changes upon phase transition are analyzed using a combination of superspace crystallography and group theory approach. Correlations between the chain ordering pattern and octahedral tilting in the perovskite blocks are discussed. Pb2Ba2BiFe5O13 and Pb1.5Ba2.5Bi2Fe6O16 undergo a transition into an antiferromagnetically (AFM) ordered state, which is characterized by a G-type AFM ordering of the Fe magnetic moments within the perovskite blocks. The AFM perovskite blocks are stacked along the CS planes producing alternating FM and AFM-aligned FeFe pairs. In spite of the apparent frustration of the magnetic coupling between the perovskite blocks, all n = 4, 5, 6 AnFenO3n2 (A = Pb, Bi, Ba) feature robust antiferromagnetism with similar Néel temperatures of 623632 K.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000322087100006	Publication Date	2013-02-13
	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	10	Open Access
	Notes	Countatoms			Approved	Most recent IF: 4.857; 2013 IF: 4.794
	Call Number	UA @ lucian @ c:irua:109213			Serial	3196
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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	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
	Corporate Author				Thesis
	Publisher		Place of Publication	S.l.	Editor
	Language		Wos	000354559600004	Publication Date	2015-01-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1549-9634;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.72	Times cited	62	Open Access
	Notes				Approved	Most recent IF: 5.72; 2015 IF: 6.155
	Call Number	c:irua:126351			Serial	3838
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	Author	Blandy, J.N.; Abakumov, A.M.; Christensen, K.E.; Hadermann, J.; Adamson, P.; Cassidy, S.J.; Ramos, S.; Free, D.G.; Cohen, H.; Woodruff, D.N.; Thompson, A.L.; Clarke, S.J.;
	Title	Soft chemical control of the crystal and magnetic structure of a layered mixed valent manganite oxide sulfide			Type	A1 Journal article
	Year	2015	Publication	APL materials	Abbreviated Journal	Apl Mater
	Volume	3	Issue	3	Pages	041520
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Oxidative deintercalation of copper ions from the sulfide layers of the layered mixed-valent manganite oxide sulfide Sr2MnO2Cu1.5S2 results in control of the copper-vacancy modulated superstructure and the ordered arrangement of magnetic moments carried by the manganese ions. This soft chemistry enables control of the structures and properties of these complex materials which complement mixed-valent perovskite and perovskite-related transition metal oxides. (C) 2015 Author(s).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000353828400027	Publication Date	2015-04-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2166-532X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.335	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 4.335; 2015 IF: NA
	Call Number	c:irua:126021			Serial	3049
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	Author	Bourgeois, J.; Hervieu, M.; Poienar, M.; Abakumov, A.M.; Elkaïm, E.; Sougrati, M.T.; Porcher, F.; Damay, F.; Rouquette, J.; Van Tendeloo, G.; Maignan, A.; Haines, J.; Martin, C.;
	Title	Evidence of oxygen-dependent modulation in LuFe₂O₄			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	85	Issue	6	Pages	064102-064120,10
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A polycrystalline sample of LuFe2O4 has been investigated by means of powder synchrotron x-ray and neutron diffraction and transmission electron microscopy (TEM), along with Mössbauer spectroscopy and transport and magnetic properties. A monoclinic distortion is unambiguously evidenced, and the crystal structure is refined in the monoclinic C2/m space group [aM = 5.9563(1) Å, bM = 3.4372(1) Å, cM = 8.6431(1) Å, β = 103.24(1)°]. Along with the previously reported modulations distinctive of the charge-ordering (CO) of the iron species, a new type of incommensurate order is observed, characterized by a vector q⃗1 = α1a⃗M* + γ1c⃗M* (with α1 ≅ 0.55, γ1 ≅ 0.13). In situ heating TEM observations from 300 to 773 K confirm that the satellites associated with q⃗1 vanish completely, only at a temperature significantly higher than the CO temperature. This incommensurate modulation has a displacive character and corresponds primarily to a transverse displacive modulation wave of the Lu cations position, as revealed by the high resolution, high angle annular dark field scanning TEM images and in agreement with synchrotron data refinements. Analyses of vacuum-annealed samples converge toward the hypothesis of a new ordering mechanism, associated with a tiny oxygen deviation from the O4 stoichiometry.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000299896900003	Publication Date	2012-02-06
	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	24	Open Access
	Notes	Hercules			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:95042			Serial	1095
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	Author	Charkin, D.O.; Demchyna, R.; Prots, Y.; Borrmann, H.; Burkhardt, U.; Schwarz, U.; Schnelle, W.; Plokhikh, I.V.; Kazakov, S.M.; Abakumov, A.M.; Batuk, D.; Verchenko, V.Y.; Tsirlin, A.A.; Curfs, C.; Grin, Y.; Shevelkov, A.V.;
	Title	Two New Arsenides, Eu7Cu44As23 and Sr7Cu44As23, With a New Filled Variety of the BaHg11 Structure			Type	A1 Journal article
	Year	2014	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	53	Issue	20	Pages	11173-11184
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Two new ternary arsenides, namely, Eu7Cu44As23 and Sr7Cu44As23, were synthesized from elements at 800 degrees C. Their crystal structure represents a new filled version of the BaHg11 motif with cubic voids alternately occupied by Eu(Sr) and As atoms, resulting in a 2 x 2 x 2 superstructure of the aristotype: space group Fm (3) over barm, a = 16.6707(2) angstrom and 16.7467(2) angstrom, respectively. The Eu derivative exhibits ferromagnetic ordering below 17.5 K. In agreement with band structure calculations both compounds are metals, exhibiting relatively low thermopower, but high electrical and low thermal conductivity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000343527700049	Publication Date	2014-09-29
	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	9	Open Access
	Notes				Approved	Most recent IF: 4.857; 2014 IF: 4.762
	Call Number	UA @ lucian @ c:irua:121141			Serial	3784
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	Author	Charkin, D.O.; Urmanov, A.V.; Kazakov, S.M.; Batuk, D.; Abakumov, A.M.; Knöner, S.; Gati, E.; Wolf, B.; Lang, M.; Shevelkov, A.V.; Van Tendeloo, G.; Antipov, E.V.;
	Title	Synthesis, crystal structure, transport, and magnetic properties of novel ternary copper phosphides, A₂Cu₆P₅(A = Sr, Eu) and EuCu₄P₃			Type	A1 Journal article
	Year	2012	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	51	Issue	16	Pages	8948-8955
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Three new ternary copper phosphides, Sr2Cu6P5, Eu2Cu6P5, and EuCu4P3, have been synthesized from the elements in evacuated silica capsules. Eu2Cu6P5 and Sr2Cu6P5 adopt the Ca2Cu6P5-type structure, while EuCu4P3 is isostructural to BaMg4Si3 and still remains the only representative of this structure type among the ternary Cu pnictides. All three materials show metallic conductivity in the temperature range 2 K <= T <= 290 K, with no indication for superconductivity. For Eu2Cu6P5 and EuCu4P3, long-range magnetic order was observed, governed by 4f local moments on the Eu atoms with predominant ferromagnetic interactions. While Eu2Cu6P5 shows a single ferromagnetic transition at T-C = 34 K, the magnetic behavior of EuCu4P3 is more complex, giving rise to three consecutive magnetic phase transitions at 70, 43, and 18 K.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000307606200042	Publication Date	2012-07-31
	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	13	Open Access
	Notes				Approved	Most recent IF: 4.857; 2012 IF: 4.593
	Call Number	UA @ lucian @ c:irua:102217			Serial	3453
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	Author	Chernov, S.V.; Dobrovolsky, Y.A.; Istomin, S.Y.; Antipov, E.V.; Grins, J.; Svensson, G.; Tarakina, N.V.; Abakumov, A.M.; Van Tendeloo, G.; Eriksson, S.G.; Rahman, S.M.H.;
	Title	_Sr{2}GaScO₅, Sr₁₀Ga₆Sc₄O₂₅, and SrGa_0.75Sc_0.25O_2.5 : a play in the octahedra to tetrahedra ratio in oxygen-deficient perovskites			Type	A1 Journal article
	Year	2012	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	51	Issue	2	Pages	1094-1103
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Three different perovskite-related phases were isolated in the SrGa(1-x)Sc(x)O(2.5) system: Sr(2)GaScO(5), Sr(10)Ga(6)Sc(4)O(25), and SrGa(0.75)Sc(0.25)O(2.5), Sr(2)GaScO(5) (x = 0.5) crystallizes in a brownrnillerite-type structure [space group (S.G.) Icmm, a = 5.91048(5) angstrom, b = 15.1594(1) angstrom, and c = 5.70926(4) angstrom] with complete ordering of Sc(3+) and Ga(3+) over octahedral and tetrahedral positions, respectively. The crystal structure of Sr(10)Ga(6)Sc(4)O(25) (x = 0.4) was determined by the Monte Carlo method and refined using a combination of X-ray, neutron, and electron diffraction data [S.G. I4(1)/a, a = 17.517(1) angstrom, c = 32.830(3) angstrom]. It represents a novel type of ordering of the B cations and oxygen vacancies in perovskites. The crystal structure of Sr(10)Ga(6)Sc(4)O(25) can be described as a stacking of eight perovskite layers along the c axis ...[-(Sc/Ga)O(1.6)-SrO(0.8)-(Sc/Ga)O(1.8)-SrO(0.8)-](2 center dot center dot center dot) Similar to Sr(2)GaScO(5), this structure features a complete ordering of the Sc(3+) and Ga(3+) cations over octahedral and tetrahedral positions, respectively, within each layer. A specific feature of the crystal structure of Sr(10)Ga(6)Sc(4)O(25) is that one-third of the tetrahedra have one vertex not connected with other Sc/Ga cations. Further partial replacement of Sc(3+) by Ga(3+) leads to the formation of the cubic perovskite phase SrGa(0.75)Sc(0.25)O(2.5) (x = 0.25) with a = 3.9817(4) angstrom. This compound incorporates water molecules in the structure forming SrGa(0.75)Sc(0.25)O(2.5)center dot xH(2)O hydrate, which exhibits a proton conductivity of similar to 2.0 x 10(-6) S/cm at 673 K.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000299028800042	Publication Date	2011-12-22
	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	14	Open Access
	Notes				Approved	Most recent IF: 4.857; 2012 IF: 4.593
	Call Number	UA @ lucian @ c:irua:96229			Serial	3559
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	Author	Gou, H.; Dubrovinskaia, N.; Bykova, E.; Tsirlin, A.A.; Kasinathan, D.; Schnelle, W.; Richter, A.; Merlini, M.; Hanfland, M.; Abakumov, A.M.; Batuk, D.; Van Tendeloo, G.; Nakajima, Y.; Kolmogorov, A.N.; Dubrovinsky, L.;
	Title	Discovery of a superhard iron tetraboride superconductor			Type	A1 Journal article
	Year	2013	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	111	Issue	15	Pages	157002-157005
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Single crystals of novel orthorhombic (space group Pnnm) iron tetraboride FeB4 were synthesized at pressures above 8 GPa and high temperatures. Magnetic susceptibility and heat capacity measurements demonstrate bulk superconductivity below 2.9 K. The putative isotope effect on the superconducting critical temperature and the analysis of specific heat data indicate that the superconductivity in FeB4 is likely phonon mediated, which is rare for Fe-based superconductors. The discovered iron tetraboride is highly incompressible and has the nanoindentation hardness of 62(5) GPa; thus, it opens a new class of highly desirable materials combining advanced mechanical properties and superconductivity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000325371500011	Publication Date	2013-10-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	127	Open Access
	Notes	Countatoms			Approved	Most recent IF: 8.462; 2013 IF: 7.728
	Call Number	UA @ lucian @ c:irua:110820			Serial	729
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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	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.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000332405000002	Publication Date	2014-02-24
	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	39	Open Access
	Notes				Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:115819			Serial	2571
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	Author	Li, M.R.; Adem, U.; McMitchell, S.R.C.; Xu, Z.; Thomas, C.I.; Warren, J.E.; Giap, D.V.; Niu, H.; Wan, X.; Palgrave, R.G.; Schiffmann, F.; Cora, F.; Slater, B.; Burnett, T.L.; Cain, M.G.; Abakumov, A.M.; Van Tendeloo, G.; Thomas, M.F.; Rosseinsky, M.J.; Claridge, J.B.;
	Title	A polar corundum oxide displaying weak ferromagnetism at room temperature			Type	A1 Journal article
	Year	2012	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	134	Issue	8	Pages	3737-3747
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Combining long-range magnetic order with polarity in the same structure is a prerequisite for the design of (magnetoelectric) multiferroic materials. There are now several demonstrated strategies to achieve this goal, but retaining magnetic order above room temperature remains a difficult target. Iron oxides in the +3 oxidation state have high magnetic ordering temperatures due to the size of the coupled moments. Here we prepare and characterize ScFeO3 (SFO), which under pressure and in strain-stabilized thin films adopts a polar variant of the corundum structure, one of the archetypal binary oxide structures. Polar corundum ScFeO3 has a weak ferromagnetic ground state below 356 K-this is in contrast to the purely antiferromagnetic ground state adopted by the well-studied ferroelectric BiFeO3.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000301161600027	Publication Date	2012-01-23
	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	48	Open Access
	Notes				Approved	Most recent IF: 13.858; 2012 IF: 10.677
	Call Number	UA @ lucian @ c:irua:97200			Serial	2658
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	Author	Marikutsa, A.V.; Rumyantseva, M.N.; Frolov, D.D.; Morozov, I.V.; Boltalin, A.I.; Fedorova, A.A.; Petukhov, I.A.; Yashina, L.V.; Konstantinova, E.A.; Sadovskaya, E.M.; Abakumov, A.M.; Zubavichus, Y.V.; Gaskov, A.M.;
	Title	Role of PdO_x and RuO_y clusters in oxygen exchange between nanocrystalline tin dioxide and the gas phase			Type	A1 Journal article
	Year	2013	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	117	Issue	45	Pages	23858-23867
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The effect of palladium- and ruthenium-based clusters on nanocrystalline tin dioxide interaction with oxygen was studied by temperature-programmed oxygen isotopic exchange with mass-spectrometry detection. The modification of aqueous sol-gel prepared SnO2 by palladium and, to a larger extent, by ruthenium, increases surface oxygen concentration on the materials. The revealed effects on oxygen exchange-lowering the threshold temperature, separation of surface oxygen contribution to the process, increase of heteroexchange rate and oxygen diffusion coefficient, decrease of activation energies of exchange and diffusion-were more intensive for Ru-modified SnO2 than in the case of SnO2/Pd. The superior promoting activity of ruthenium on tin dioxide interaction with oxygen was interpreted by favoring the dissociative O-2 adsorption and increasing the oxygen mobility, taking into account the structure and chemical composition of the modifier clusters.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000327110500046	Publication Date	2013-10-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447;1932-7455;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	20	Open Access
	Notes				Approved	Most recent IF: 4.536; 2013 IF: 4.835
	Call Number	UA @ lucian @ c:irua:112706			Serial	2924
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	Author	McCalla, E.; Prakash, A.S.; Berg, E.; Saubanere, M.; Abakumov, A.M.; Foix, D.; Klobes, B.; Sougrati, M.T.; Rousse, G.; Lepoivre, F.; Mariyappan, S.; Doublet, M.L.; Gonbeau, D.; Novak, P.; Van Tendeloo, G.; Hermann, R.P.; Tarascon, J.M.;
	Title	Reversible Li-intercalation through oxygen reactivity in Li-rich Li-Fe-Te oxide materials			Type	A1 Journal article
	Year	2015	Publication	Journal of the electrochemical society	Abbreviated Journal	J Electrochem Soc
	Volume	162	Issue	162	Pages	A1341-A1351
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Lithium-rich oxides are a promising class of positive electrode materials for next generation lithium-ion batteries, and oxygen plays a prominent role during electrochemical cycling either by forming peroxo-like species and/or by irreversibly forming oxygen gas during first charge. Here, we present Li-Fe-Te-O materials which show a tremendous amount of oxygen gas release. This oxygen release accounts for nearly all the capacity during the first charge and results in vacancies as seen by transmission electron microscopy. There is no oxidation of either metal during charge but significant changes in their environments. These changes are particularly extreme for tellurium. XRD and neutron powder diffraction both show limited Changes during cycling and no appreciable change in lattice parameters. A density functional theory study of this material is performed and demonstrates that the holes created on some of the oxygen atoms upon oxidation are partially stabilized through the formation of shorter O-O bonds, i.e. (O-2)(n-) species which on further delithiation show a spontaneous O-2 de-coordination from the cationic network and migration to the now empty lithium layer. The rate limiting step during charge is undoubtedly the diffusion of oxygen either out along the lithium layer or via columns of oxygen atoms. (C) 2015 The Electrochemical Society. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000355643700030	Publication Date	2015-04-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-4651;1945-7111;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.259	Times cited	23	Open Access
	Notes				Approved	Most recent IF: 3.259; 2015 IF: 3.266
	Call Number	c:irua:126445			Serial	2903
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	Author	Mikhailova, D.; Reichel, P.; Tsirlin, A.A.; Abakumov, A.M.; Senyshyn, A.; Mogare, K.M.; Schmidt, M.; Kuo, C.Y.; Pao, C.W.; Pi, T.W.; Lee, J.F.; Hu, Z.; Tjeng, L.H.;
	Title	Oxygen-driven competition between low-dimensional structures of Sr₃CoMO₆ and Sr₃CoMO_7-\delta with M = Ru,Ir			Type	A1 Journal article
	Year	2014	Publication	Journal of the Chemical Society : Dalton transactions	Abbreviated Journal	Dalton T
	Volume	43	Issue	37	Pages	13883-13891
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We have realized a reversible structure transformation of one-dimensional 1D K4CdCl6-type Sr3CoMO6 with the Co2+/M4+ cation ordering into the two-dimensional 2D double layered Ruddlesden-Popper structure Sr3CoMO7-delta with a random distribution of Co and M (with M = Ru, Ir) upon increasing the partial oxygen pressure. The combined soft and hard X-ray absorption spectroscopy studies show that under transformation, Co and M cations were oxidized to Co3+ and M5+. During oxidation, high-spin Co2+ in Sr3CoMO6 first transforms into high-spin Co3+ in oxygen-deficient Sr3CoMO7-delta, and then further transforms into low-spin Co3+ in fully oxidized Sr3CoMO7 upon further increasing the partial pressure of oxygen. The 1D Sr3CoMO6 compound is magnetically ordered at low temperatures with the magnetic moments lying along the c-axis. Their alignment is parallel for Sr3CoRuO6 and antiparallel for Sr3CoIrO6. The 2D compounds reveal a spin-glass-like behavior related to the random distribution of magnetic cations in the structure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000342074100009	Publication Date	2014-07-28
	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	7	Open Access
	Notes				Approved	Most recent IF: 4.029; 2014 IF: 4.197
	Call Number	UA @ lucian @ c:irua:119960			Serial	2545
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	Author	Mikita, R.; Aharen, T.; Yamamoto, T.; Takeiri, F.; Ya, T.; Yoshimune, W.; Fujita, K.; Yoshida, S.; Tanaka, K.; Batuk, D.; Abakumov, A.M.; Brown, C.M.; Kobayashi, Y.; Kageyama, H.;
	Title	Topochemical nitridation with anion vacancy -assisted N^3-/O^2- exchange			Type	A1 Journal article
	Year	2016	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	138	Issue	138	Pages	3211-3217
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We present how the introduction of anion vacancies in oxyhydrides enables a route to access new oxynitrides, by conducting ammonolysis of perovskite oxyhydride EuTiO3-xHx (x similar to 0.18). At 400 degrees C, similar to our studies on BaTiO3-xHx, hydride lability enables a low temperature direct ammonolysis of EUTi3.82+O-2.82/H-0.18, leading to the N3-/H--exchanged product EuTi4+O2.82No0.12 square 0.06 center dot When the ammonolysis temperature was increased up to 800 degrees C, we observed a further nitridation involving N3-/O2- exchange, yielding a fully oxidized Eu3+Ti4+O2N with the GdFeO3-type distortion (Pnma) as a metastable phase, instead of pyrochlore structure. Interestingly, the same reactions using the oxide EuTiO3 proceeded through a 1:1 exchange of N3- with O-2 only above 600 degrees C and resulted in incomplete nitridation to EuTi02.25N0.75, indicating that anion vacancies created during the initial nitridation process of EuTiO2.82H0.18 play a crucial role in promoting anion (N3-/O2-) exchange at high temperatures. Hence, by using (hydride-induced) anion-deficient precursors, we should be able to expand the accessible anion composition of perovskite oxynitrides.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000371945800055	Publication Date	2016-02-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0002-7863	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
	Call Number	UA @ lucian @ c:irua:133156			Serial	4266
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	Author	Morozov, V.A.; Bertha, A.; Meert, K.W.; Van Rompaey, S.; Batuk, D.; Martinez, G.T.; Van Aert, S.; Smet, P.F.; Raskina, M.V.; Poelman, D.; Abakumov, A.M.; Hadermann, J.;
	Title	Incommensurate modulation and luminescence in the CaGd_2(1-x)Eu_2x(MoO₄)_4(1-y)(WO)_4y (0\leq x\leq1, 0\leq y\leq1) red phosphors			Type	A1 Journal article
	Year	2013	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	25	Issue	21	Pages	4387-4395
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Scheelite related compounds (A',A '') [(B',B '')O-4], with B', B '' = W and/or Mo are promising new light-emitting materials for photonic applications, including phosphor converted LEDs (light-emitting diodes). In this paper, the creation and ordering of A-cation vacancies and the effect of cation substitutions in the scheelite-type framework are investigated as a factor for controlling the scheelite-type structure and luminescent properties. CaGd2(1-x)Eu2x(MoO4)(4(1-y))(WO4)(4y) (0 <= x <= 1, 0 <= y <= 1) solid solutions with scheelite-type structure were synthesized by a solid state method, and their structures were investigated using a combination of transmission electron microscopy techniques and powder X-ray diffraction. Within this series all complex molybdenum oxides have (3 + 2)D incommensurately modulated structures with superspace group I4(1)/a(alpha,beta,0)00(-beta,alpha,0)00, while the structures of all tungstates are (3 + 1)D incommensurately modulated with superspace group I2/b(alpha beta 0)00. In both cases the modulation arises because of cation-vacancy ordering at the A site. The prominent structural motif is formed by columns of A-site vacancies running along the c-axis. These vacant columns occur in rows of two or three aligned along the [110] direction of the scheelite subcell. The replacement of the smaller Gd3+ by the larger Eu3+ at the A-sublattice does not affect the nature of the incommensurate modulation, but an increasing replacement of Mo6+ by W6+ switches the modulation from (3 + 2)D to (3 + 1)D regime. Thus, these solid solutions can be considered as a model system where the incommensurate modulation can be monitored as a function of cation nature while the number of cation vacancies at the A sites remain constant upon the isovalent cation replacement. All compounds' luminescent properties were measured, and the optical properties were related to the structural properties of the materials. CaGd2(1-x)(MoO4)(4(1-y))(WO4)(4y) phosphors emit intense red light dominated by the D-5(0)-F-7(2) transition at 612 nm, along with other transitions from the D-5(1) and D-5(0) excited states. The intensity of the 5D0-7F2 transition reaches a maximum at x = 0.5 for y = 0 and 1.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000327045000030	Publication Date	2013-09-24
	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	63	Open Access
	Notes				Approved	Most recent IF: 9.466; 2013 IF: 8.535
	Call Number	UA @ lucian @ c:irua:112776			Serial	1594
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	Author	Morozov, V.A.; Raskina, M.V.; Lazoryak, B.I.; Meert, K.W.; Korthout, K.; Smet, P.F.; Poelman, D.; Gauquelin, N.; Verbeeck, J.; Abakumov, A.M.; Hadermann, J.;
	Title	Crystal Structure and Luminescent Properties of R2-xEux(MoO4)(3) (R = Gd, Sm) Red Phosphors			Type	A1 Journal article
	Year	2014	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	26	Issue	24	Pages	7124-7136
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The R-2(MoO4)(3) (R = rare earth elements) molybdates doped with Eu3+ cations are interesting red-emitting materials for display and solid-state lighting applications. The structure and luminescent properties of the R2-xEux(MoO4)(3) (R = Gd, Sm) solid solutions have been investigated as a function of chemical composition and preparation conditions. Monoclinic (alpha) and orthorhombic (beta') R2-xEux(MoO4)(3) (R = Gd, Sm; 0 <= x <= 2) modifications were prepared by solid-state reaction, and their structures were investigated using synchrotron powder X-ray diffraction and transmission electron microscopy. The pure orthorhombic beta'-phases could be synthesized only by quenching from high temperature to room temperature for Gd2-xEux(MoO4)(3) in the Eu3+-rich part (x > 1) and for all Sm2-xEux(MoO4)(3) solid solutions. The transformation from the alpha-phase to the beta'-phase results in a notable increase (similar to 24%) of the unit cell volume for all R2-xEux(MoO4)(3) (R = Sm, Gd) solid solutions. The luminescent properties of all R2-xEux(MoO4)(3) (R = Gd, Sm; 0 <= x <= 2) solid solutions were measured, and their optical properties were related to their structural properties. All R2-xEux(MoO4)(3) (R = Gd, Sm; 0 <= x <= 2) phosphors emit intense red light dominated by the D-5(0)-> F-7(2) transition at similar to 616 nm. However, a change in the multiplet splitting is observed when switching from the monoclinic to the orthorhombic structure, as a consequence of the change in coordination polyhedron of the luminescent ion from RO8 to RO7 for the alpha- and beta'-modification, respectively. The Gd2-xEux(MoO4)(3) solid solutions are the most efficient emitters in the range of 0 < x < 1.5, but their emission intensity is comparable to or even significantly lower than that of Sm2-xEux(MoO4)(3) for higher Eu3+ concentrations (1.5 <= x <= 1.75). Electron energy loss spectroscopy (EELS) measurements revealed the influence of the structure and element content on the number and positions of bands in the ultraviolet-visible-infrared regions of the EELS spectrum.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000347139700027	Publication Date	2014-11-27
	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	24	Open Access
	Notes	Fwo G039211n; G004413n; 278510 Vortex ECASJO_;			Approved	Most recent IF: 9.466; 2014 IF: 8.354
	Call Number	UA @ lucian @ c:irua:122829UA @ admin @ c:irua:122829			Serial	558
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	Author	Retuerto, M.; Skiadopoulou, S.; Li, M.R.; Abakumov, A.M.; Croft, M.; Ignatov, A.; Sarkar, T.; Abbett, B.M.; Pokorný, J.; Savinov, M.; Nuzhnyy, D.; Prokleška, J.; Abeykoon, M.; Stephens, P.W.; Hodges, J.P.; Vaněk, P.; Fennie, C.J.; Rabe, K.M.; Kamba, S.; Greenblatt, M.;
	Title	Pb₂MnTeO₆ double perovskite : an antipolar anti-ferromagnet			Type	A1 Journal article
	Year	2016	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	55	Issue	55	Pages	4320-4329
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Pb2MnTeO6, a new double perovskite, was synthesized. Its crystal structure was determined by synchrotron X-ray and powder neutron diffraction. Pb2MnTeO6 is monoclinic (I2/m) at room temperature with a regular arrangement of all the cations in their polyhedra. However, when the temperature is lowered to similar to 120 K it undergoes a phase transition from I2/m to C2/c structure. This transition is accompanied by a displacement of the Pb atoms from the center of their polyhedra due to the 6s2 lone-pair electrons, together with a surprising off-centering of Mn2+ (d5) magnetic cations. This strong first-order phase transition is also evidenced by specific heat, dielectric, Raman, and infrared spectroscopy measurements. The magnetic characterizations indicate an anti-ferromagnetic (AFM) order below TN approximate to 20 K; analysis of powder neutron diffraction data confirms the magnetic structure with propagation vector k = (0 1 0) and collinear AFM spins. The observed jump in dielectric permittivity near similar to 150 K implies possible anti-ferroelectric behavior; however, the absence of switching suggests that Pb2MnTeO6 can only be antipolar. First-principle calculations confirmed that the crystal and magnetic structures determined are locally stable and that anti-ferroelectric switching is unlikely to be observed in Pb2MnTeO6.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000375519700027	Publication Date	2016-04-08
	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	9	Open Access
	Notes				Approved	Most recent IF: 4.857
	Call Number	UA @ lucian @ c:irua:134219			Serial	4258
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	Author	Ryabova, A.S.; Napolskiy, F.S.; Poux, T.; Istomin, S.Y.; Bonnefont, A.; Antipin, D.M.; Baranchikov, A.Y.; Levin, E.E.; Abakumov, A.M.; Kéranguéven, G.; Antipov, E.V.; Tsirlina, G.A.; Savinova, E.R.;
	Title	Rationalizing the influence of the Mn(IV)/Mn(III) red-Ox transition on the electrocatalytic activity of manganese oxides in the oxygen reduction reaction			Type	A1 Journal article
	Year	2016	Publication	Electrochimica acta	Abbreviated Journal	Electrochim Acta
	Volume	187	Issue	187	Pages	161-172
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Knowledge on the mechanisms of oxygen reduction reaction (ORR) and descriptors linking the catalytic activity to the structural and electronic properties of transition metal oxides enable rational design of more efficient catalysts. In this work ORR electrocatalysis was studied on a set of single and complex Mn (III) oxides with a rotating disc electrode method and cyclic voltammetry. We discovered an exponential increase of the specific electrocatalytic activity with the potential of the surface Mn(IV)/Mn(III) red-ox couple, suggesting the latter as a new descriptor for the ORR electrocatalysis. The observed dependence is rationalized using a simple mean-field kinetic model considering availability of the Mn( III) centers and adsorbate-adsorbate interactions. We demonstrate an unprecedented activity of Mn2O3, ca. 40 times exceeding that of MnOOH and correlate the catalytic activity of Mn oxides to their crystal structure. (C) 2015 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000367235600019	Publication Date	2015-11-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-4686	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.798	Times cited	51	Open Access
	Notes				Approved	Most recent IF: 4.798
	Call Number	UA @ lucian @ c:irua:131096			Serial	4237
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	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 Pb_2.4Ba_2.6Fe₂Sc₂TiO₁₃ 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	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
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	Author	Abakumov, A.M.; Alekseeva, A.M.; Rozova, M.G.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G.
	Title	Ordering of tetrahedral chains in the Sr₂MnGaO₅ brownmillerite			Type	A1 Journal article
	Year	2003	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	174	Issue	2	Pages	319-328
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Tetrahedral chain ordering in the Sr2MnGaO5 structure is studied using electron diffraction (ED) and high-resolution electron microscopy. The ED patterns show the presence of satellite reflections, which indicate a commensurately modulated structure with a = 5.4056(8) Angstrom b 16.171(3) Angstrom, c = 5.5592(7) Angstrom, q – 1/2c*, superspace group Immma(00gamma,)s00. The Superstructure arises due to ordering of the two types of symmetry related tetrahedral chains (L and R) according to a ... LRLR ... sequence, where L and R chains alternate along the c-axis within the same (GaO) layer. Numerous defects at different structural levels were observed, comprising interleaving L and R chains, violation of the ... LRLR ... chain sequence within one layer, different stacking modes of the ... LRLR ... ordered layers with subsequent alternation of blocks of different width along the h-axis of the brownmillerite subcell and island fragmentation of the modulated superstructure. By in situ heating ED experiments it is found that the long-range ordering of the tetrahedral chains is stable tip to 665degreesC and is completely suppressed at 905degreesC. (C) 2003 Elsevier Inc. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000185180500011	Publication Date	2003-07-22
	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	34	Open Access
	Notes				Approved	Most recent IF: 2.299; 2003 IF: 1.413
	Call Number	UA @ lucian @ c:irua:94846			Serial	2506
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	Author	Abakumov, A.M.; Batuk, D.; Hadermann, J.; Rozova, M.G.; Sheptyakov, D.V.; Tsirlin, A.A.; Niermann, D.; Waschowski, F.; Hemberger, J.; Van Tendeloo, G.; Antipov, E.V.
	Title	Antiferroelectric (Pb,Bi)_1-xFe_1+xO_3-y perovskites modulated by crystallographic shear planes			Type	A1 Journal article
	Year	2011	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	23	Issue	2	Pages	255-265
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We demonstrate for the first time a possibility to vary the anion content in perovskites over a wide range through a long-range-ordered arrangement of crystallographic shear (CS) planes. Anion-deficient perovskites (Pb,Bi)1−xFe1+xO3−y with incommensurately modulated structures were prepared as single phases in the compositional range from Pb0.857Bi0.094Fe1.049O2.572 to Pb0.409Bi0.567Fe1.025O2.796. Using a combination of electron diffraction and high-resolution scanning transmission electron microscopy, we constructed a superspace model describing a periodic arrangement of the CS planes. The model was verified by refinement of the Pb0.64Bi0.32Fe1.04O2.675 crystal structure from neutron powder diffraction data ((3 + 1)D S.G. X2/m(α0γ), X = [1/2,1/2,1/2,1/2], a = 3.9082(1) Å, b = 3.90333(8) Å, c = 4.0900(1) Å, β = 91.936(2)°, q = 0.05013(4)a* + 0.09170(3)c* at T = 700 K, RP = 0.036, RwP = 0.048). The (Pb,Bi)1−xFe1+xO3−y structures consist of perovskite blocks separated by CS planes confined to nearly the (509)p perovskite plane. Along the CS planes, the perovskite blocks are shifted with respect to each other over the 1/2[110]p vector that transforms the corner-sharing connectivity of the FeO6 octahedra in the perovskite framework to an edge-sharing connectivity of the FeO5 pyramids at the CS plane, thus reducing the oxygen content. Variation of the chemical composition in the (Pb,Bi)1−xFe1+xO3−y series occurs mainly because of a changing thickness of the perovskite block between the interfaces, that can be expressed through the components of the q vector as Pb6γ+2αBi1−7γ−αFe1+γ−αO3−3γ−α. The Pb, Bi, and Fe atoms are subjected to strong displacements occurring in antiparallel directions on both sides of the perovskite blocks, resulting in an antiferroelectric-type structure. This is corroborated by the temperature-, frequency-, and field-dependent complex permittivity measurements. Pb0.64Bi0.32Fe1.04O2.675 demonstrates a remarkably high resistivity >0.1 T Ω cm at room temperature and orders antiferromagnetically below TN = 608(10) K.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000286160800018	Publication Date	2010-12-23
	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	29	Open Access
	Notes				Approved	Most recent IF: 9.466; 2011 IF: 7.286
	Call Number	UA @ lucian @ c:irua:88651			Serial	136
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	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	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
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000314224800002	Publication Date	2013-02-01
	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	17	Open Access
	Notes				Approved	Most recent IF: 3.836; 2013 IF: 3.664
	Call Number	UA @ lucian @ c:irua:107688			Serial	1293
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	Author	Abakumov, A.M.; d' Hondt, H.; Rossell, M.D.; Tsirlin, A.A.; Gutnikova, O.; Filimonov, D.S.; Schnelle, W.; Rosner, H.; Hadermann, J.; Van Tendeloo, G.; Antipov, E.V.
	Title	Coupled anion and cation ordering in Sr₃RFe₄O_10.5 (R=Y, Ho, Dy) anion-deficientperovskites			Type	A1 Journal article
	Year	2010	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	183	Issue	12	Pages	2845-2854
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The Sr3RFe4O10.5 (R=Y, Ho, Dy) anion-deficient perovskites were prepared using a solid-state reaction in evacuated sealed silica tubes. Transmission electron microscopy and 57Fe Mössbauer spectroscopy evidenced a complete A-cations and oxygen vacancies ordering. The structure model was further refined by ab initio structure relaxation, based on density functional theory calculations. The compounds crystallize in a tetragonal a≈2√2ap≈11.3 Å, с≈4сp≈16 Å unit cell (ap: parameter of the perovskite subcell) with the P42/mnm space group. Oxygen vacancies reside in the (FeO5/4□3/4) layers, comprising corner-sharing FeO4 tetrahedra and FeO5 tetragonal pyramids, which are sandwiched between the layers of the FeO6 octahedra. Smaller R atoms occupy the 9-fold coordinated position, whereas the 10-fold coordinated positions are occupied by larger Sr atoms. The Fe sublattice is ordered aniferromagnetically up to at least 500 K, while the rare-earth sublattice remains disordered down to 2 K.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000285431100014	Publication Date	2010-10-02
	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	8	Open Access
	Notes				Approved	Most recent IF: 2.299; 2010 IF: 2.261
	Call Number	UA @ lucian @ c:irua:88071			Serial	533
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	Author	Abakumov, A.M.; Erni, R.; Tsirlin, A.A.
	Title	Reply to Comment on “Frustrated octahedral tilting distortion in the incommensurately modulated Li_3xNd_2/3-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
	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
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	Author	Abakumov, A.M.; Erni, R.; Tsirlin, A.A.; Rossell, M.D.; Batuk, D.; Nénert, G.; Van Tendeloo, G.
	Title	Frustrated octahedral tilting distortion in the incommensurately modulated Li_3xNd_2/3-xTiO₃ perovskites			Type	A1 Journal article
	Year	2013	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	25	Issue	13	Pages	2670-2683
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Perovskite-structured titanates with layered A-site ordering form remarkably complex superstructures. Using transmission electron microscopy, synchrotron X-ray and neutron powder diffraction, and ab initio structure relaxation, we present the structural solution of the incommensurately modulated Li3xNd2/3xTiO3 perovskites (x = 0.05, superspace group Pmmm(α1,1/2,0)000(1/2,β2 0)000, a = 3.831048(5) Å, b = 3.827977(4) Å, c = 7.724356(8) Å, q1 = 0.45131(8)a* + 1/2b, q2 = 1/2a + 0.41923(4)b*). In contrast to earlier conjectures on the nanoscale compositional phase separation in these materials, all peculiarities of the superstructure can be understood in terms of displacive modulations related to an intricate octahedral tilting pattern. It involves fragmenting the pattern of the out-of-phase tilted TiO6 octahedra around the a- and b-axes into antiphase domains, superimposed on the pattern of domains with either pronounced or suppressed in-phase tilt component around the c-axis. The octahedral tilting competes with the second order JahnTeller distortion of the TiO6 octahedra. This competition is considered as the primary driving force for the modulated structure. The A cations are suspected to play a role in this modulation affecting it mainly through the tolerance factor and the size variance. The reported crystal structure calls for a revision of the structure models proposed for the family of layered A-site ordered perovskites exhibiting a similar type of modulated structure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000321809700015	Publication Date	2013-06-04
	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	23	Open Access
	Notes	Countatoms			Approved	Most recent IF: 9.466; 2013 IF: 8.535
	Call Number	UA @ lucian @ c:irua:109216			Serial	1292
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	Author	Abakumov, A.M.; Hadermann, J.; Bals, S.; Nikolaev, I.V.; Antipov, E.V.; Van Tendeloo, G.
	Title	Crystallographic shear structures as a route to anion-deficient perovskites			Type	A1 Journal article
	Year	2006	Publication	Angewandte Chemie: international edition in English	Abbreviated Journal	Angew Chem Int Edit
	Volume	45	Issue	40	Pages	6697-6700
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000241474500022	Publication Date	2006-09-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1433-7851;1521-3773;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.994	Times cited	62	Open Access
	Notes				Approved	Most recent IF: 11.994; 2006 IF: 10.232
	Call Number	UA @ lucian @ c:irua:61689			Serial	589
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	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 A_nB_nO_3n-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	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
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	Author	Abakumov, A.M.; Hadermann, J.; Kalyuzhnaya, A.S.; Rozova, M.G.; Mikheev, M.G.; Van Tendeloo, G.; Antipov, E.V.
	Title	Ca_6.3Mn₃Ga_4.4Al_1.3O₁₈: a novel complex oxide with 3D tetrahedral framework			Type	A1 Journal article
	Year	2005	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	178	Issue	10	Pages	3137-3144
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000232418200022	Publication Date	2005-08-26
	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	5	Open Access
	Notes	Iap V-1; Rfbr; Intas – Ysf			Approved	Most recent IF: 2.299; 2005 IF: 1.725
	Call Number	UA @ lucian @ c:irua:55030			Serial	3520
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	Author	Abakumov, A.M.; Hadermann, J.; Rozova, M.G.; Pavljuk, B.P.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G.
	Title	Synthesis and crystal structure of a new complex oxyfluoride La_0.813Sr_0.187Cu(o,F)_3-\delta			Type	A1 Journal article
	Year	2000	Publication	Journal of solid state cemistry	Abbreviated Journal	J Solid State Chem
	Volume	149	Issue		Pages	189-196
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000085229200027	Publication Date	2002-09-18
	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	8	Open Access
	Notes				Approved	Most recent IF: 2.299; 2000 IF: 1.527
	Call Number	UA @ lucian @ c:irua:29280			Serial	3422
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	Author	Abakumov, A.M.; Hadermann, J.; Tsirlin, A.A.; Tan, H.; Verbeeck, J.; Zhang, H.; Dikarev, E.V.; Shpanchenko, R.V.; Antipov, E.V.
	Title	Original close-packed structure and magnetic properties of the Pb₄Mn₉O₂₀ manganite			Type	A1 Journal article
	Year	2009	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	182	Issue	8	Pages	2231-2238
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The crystal structure of the Pb4Mn9O20 compound (previously known as Pb0.43MnO2.18) was solved from powder X-ray diffraction, electron diffraction, and high resolution electron microscopy data (S.G. Pnma, a=13.8888(2) Å, b=11.2665(2) Å, c=9.9867(1) Å, RI=0.016, RP=0.047). The structure is based on a 6H (cch)2 close packing of pure oxygen h-type (O16) layers alternating with mixed c-type (Pb4O12) layers. The Mn atoms occupy octahedral interstices formed by the oxygen atoms of the close-packed layers. The MnO6 octahedra share edges within the layers, whereas the octahedra in neighboring layers are linked through corner sharing. The relationship with the closely related Pb3Mn7O15 structure is discussed. Magnetization measurements reveal a peculiar magnetic behavior with a phase transition at 52 K, a small net magnetization below the transition temperature, and a tendency towards spin freezing.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000269066400035	Publication Date	2009-06-12
	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	5	Open Access
	Notes	The authors are grateful to Christoph Geibel for the help in magnetization measurements. A.Ts. acknowledges MPI CKS for hospitality and financial support during the stay. E.D. thanks the National Science Foundation (CHE-0718900) for financial support. This work was supported by the Russian Foundation of Basic Research (RFBR Grants 07-03-00664-a, 06-03-90168-a and 07-03-00890-a). The authors acknowledge financial support from the European Union under the Framework 6 program under a contract for an Integrated Infrastructure Initiative. Reference 026019 ESTEEM.			Approved	Most recent IF: 2.299; 2009 IF: 2.340
	Call Number	UA @ lucian @ c:irua:78935UA @ admin @ c:irua:78935			Serial	2529
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