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Effect of anionic ordering on the electronic and optical properties of BaTaO <sub>2</sub> N: TB-mBJ density functional calculation

https://doi.org/10.1088/1674-1056/26/5/057101
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The 28 checked references that resolve
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Characterization of the Structural, Optical, and Dielectric Properties of Oxynitride Perovskites AMO<sub>2</sub>N (A = Ba, Sr, Ca; M = Ta, Nb)
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Inorganic yellow-red pigments without toxic metals
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Two step water splitting into H2 and O2 under visible light by ATaO2N (A = Ca, Sr, Ba) and WO3 with <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.gif" display="inline" overflow="scroll"><mml:mrow><mml:msubsup><mml:mrow><mml:mtext>IO</mml:mtext></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow><mml:mrow><mml:mo>-</mml:mo></mml:mrow></mml:msubsup><mml:mo>/</mml:mo><mml:msup><mml:mrow><mml:mtext>I</mml:mtext></mml:mrow><mml:mrow><mml:mo>-</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math> shuttle redox mediator
resolves10.1039/c3ee40831k
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resolves10.1021/ja910745b
Electronic Tuning of Two Metals and Colossal Magnetoresistances in EuWO<sub>1+<i>x</i></sub>N<sub>2−<i>x</i></sub> Perovskites
resolves10.1039/C2JM13182J
Chemistry and applications of oxynitride perovskites
resolves10.1021/cm0709673
Local Atomic Ordering in BaTaO<sub>2</sub>N Studied by Neutron Pair Distribution Function Analysis and Density Functional Theory
resolves10.2109/jcersj2.119.581
Local anionic ordering and anisotropic displacement in dielectric perovskite SrTaO2N
resolves10.1021/cm302335q
First-Principles Study on Relaxor-Type Ferroelectric Behavior without Chemical Inhomogeneity in BaTaO<sub>2</sub>N and SrTaO<sub>2</sub>N
resolves10.1038/nchem.908
Anion order in perovskite oxynitrides
resolves10.1016/S0022-4596(02)00201-3
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resolves10.1016/0025-5408(88)90270-X
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resolves10.1016/S0022-3697(02)00296-2
Local structure and electronic properties of BaTaO2N with perovskite-type structure
resolves10.1103/PhysRevLett.100.136406
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
resolves10.1103/PhysRevLett.102.226401
Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
resolves10.1016/j.jmmm.2012.01.037
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resolves10.1016/j.physb.2013.03.042
Structural and optoelectronic properties of the zinc titanate perovskite and spinel by modified Becke–Johnson potential
resolves10.1016/j.commatsci.2013.04.030
Conversion of optically isotropic to anisotropic CdSxSe1−x (0⩽x⩽1) alloy with S concentration
resolves10.1073/pnas.30.9.244
The Compressibility of Media under Extreme Pressures
resolves10.1002/jcc.v29:13
resolves10.1016/j.mseb.2006.02.066
First-principles optical calculations of AsNMg3 and SbNMg3
resolves10.1088/0256-307X/28/11/117803
Structural and Optoelectronic Properties of Cubic CsPbF <sub>3</sub> for Novel Applications
The 1 reference without a DOI — listed, not checked
no DOI — not checked22
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