Role of screened exact exchange in accurately describing properties of transition metal oxides: Modeling defects in LaAlO3

Fedwa El-Mellouhi; Edward N. Brothers; Melissa J. Lucero; Gustavo E. Scuseria

doi:10.1103/physrevb.88.214102

Role of screened exact exchange in accurately describing properties of transition metal oxides: Modeling defects in LaAlO3

Physical Review B ◽

10.1103/physrevb.88.214102 ◽

2013 ◽

Vol 88 (21) ◽

Cited By ~ 5

Author(s):

Fedwa El-Mellouhi ◽

Edward N. Brothers ◽

Melissa J. Lucero ◽

Gustavo E. Scuseria

Keyword(s):

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides ◽

Exact Exchange

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Structural sensitivity of the oxidation reactions catalyzed by dispersed transition metal oxides: role of defect structure

Studies in Surface Science and Catalysis - 3rd World Congress on Oxidation Catalaysis, Proceedings of the 3rd World Congress on Oxidation Catalysis ◽

10.1016/s0167-2991(97)81082-8 ◽

1997 ◽

pp. 1155-1164 ◽

Cited By ~ 6

Author(s):

V.A. Sadykov ◽

S.F. Tikhov ◽

S.V. Tsybulya ◽

G.N. Kryukova ◽

S.A. Veniaminov ◽

...

Keyword(s):

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides ◽

Defect Structure ◽

Oxidation Reactions ◽

Structural Sensitivity

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Electronic structure, magnetism, and exchange integrals in transition-metal oxides: Role of the spin polarization of the functional in DFT+ U calculations

Physical Review B ◽

10.1103/physrevb.97.184404 ◽

2018 ◽

Vol 97 (18) ◽

Cited By ~ 10

Author(s):

Samara Keshavarz ◽

Johan Schött ◽

Andrew J. Millis ◽

Yaroslav O. Kvashnin

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Metal Oxides ◽

Spin Polarization ◽

Transition Metal Oxides

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Uniaxial magnetic anisotropy of transition metal oxides: role of local lattice deformation

Journal of Physics D Applied Physics ◽

10.1088/1361-6463/ab7324 ◽

2020 ◽

Vol 53 (19) ◽

pp. 195003

Author(s):

Junichiro Inoue ◽

Hiroshige Onoda ◽

Hideto Yanagihara

Keyword(s):

Transition Metal ◽

Magnetic Anisotropy ◽

Metal Oxides ◽

Transition Metal Oxides ◽

Lattice Deformation ◽

Uniaxial Magnetic Anisotropy ◽

Local Lattice

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Critical role of cationic local stresses on the stabilization of entropy‐stabilized transition metal oxides

Journal of the American Ceramic Society ◽

10.1111/jace.17029 ◽

2020 ◽

Vol 103 (5) ◽

pp. 3416-3424 ◽

Cited By ~ 3

Author(s):

Lalith K. Bhaskar ◽

Varatharaja Nallathambi ◽

Ravi Kumar

Keyword(s):

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides ◽

Critical Role ◽

Local Stresses

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Role of defect structure in structural sensitivity of the oxidation reactions catalyzed by dispersed transition metal oxides

Journal of Molecular Catalysis A Chemical ◽

10.1016/s1381-1169(00)00105-9 ◽

2000 ◽

Vol 158 (1) ◽

pp. 361-365 ◽

Cited By ~ 21

Author(s):

V.A. Sadykov ◽

S.F. Tikhov ◽

S.V. Tsybulya ◽

G.N. Kryukova ◽

S.A. Veniaminov ◽

...

Keyword(s):

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides ◽

Defect Structure ◽

Oxidation Reactions ◽

Structural Sensitivity

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The role of impurities in insultating transition metal oxides

Progress in Solid State Chemistry ◽

10.1016/0079-6786(84)90001-3 ◽

1984 ◽

Vol 15 (3) ◽

pp. 145-171 ◽

Cited By ~ 114

Author(s):

D.M. Smyth

Keyword(s):

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides

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Role of Free Radicals in Heterogeneous Complete Oxidation of Organic Compounds Over IV Period Transition Metal Oxides

Studies in Surface Science and Catalysis - New Frontiers in Catalysis - Proceedings of the 10th International Congress on Catalysis, Budapest, 19-24 July 1992 ◽

10.1016/s0167-2991(08)64013-6 ◽

1993 ◽

pp. 231-242 ◽

Cited By ~ 1

Author(s):

Z.R. Ismagilov ◽

S.N. Pak ◽

L.G. Krishtopa ◽

V.K. Yermolaev

Keyword(s):

Free Radicals ◽

Transition Metal ◽

Metal Oxides ◽

Organic Compounds ◽

Transition Metal Oxides ◽

Complete Oxidation ◽

Oxidation Of Organic Compounds

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Role of transition metal oxides in the charge recombination layer used in tandem organic photovoltaic cells

Journal of Materials Chemistry ◽

10.1039/c2jm30272a ◽

2012 ◽

Vol 22 (13) ◽

pp. 6285 ◽

Cited By ~ 23

Author(s):

Jian Li ◽

Qin-Ye Bao ◽

Huai-Xin Wei ◽

Zai-Quan Xu ◽

Jin-Peng Yang ◽

...

Keyword(s):

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides ◽

Photovoltaic Cells ◽

Charge Recombination ◽

Organic Photovoltaic ◽

Organic Photovoltaic Cells

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Role of transition metal oxides in g-C3N4-based heterojunctions for photocatalysis and supercapacitors

Journal of Energy Chemistry ◽

10.1016/j.jechem.2021.04.057 ◽

2021 ◽

Author(s):

Liqi Bai ◽

Hongwei Huang ◽

Shixin Yu ◽

Deyang Zhang ◽

Haitao Huang ◽

...

Keyword(s):

Transition Metal ◽

Metal Oxides ◽

Transition Metal Oxides

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Sputter Deposition of Transition Metal Oxides on Silicon: Evidencing the Role of Oxygen Bombardment for Fermi‐Level Pinning

physica status solidi (a) ◽

10.1002/pssa.201900730 ◽

2019 ◽

Vol 216 (23) ◽

pp. 1900730

Author(s):

Raphaël Poulain ◽

Joris Proost ◽

Andreas Klein

Keyword(s):

Transition Metal ◽

Fermi Level ◽

Metal Oxides ◽

Transition Metal Oxides ◽

Sputter Deposition ◽

Fermi Level Pinning

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