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GW for transition metal oxide perovskites
Zeynep Ergönenc, Bongjae Kim, Peitao Liu, Kresse Georg, Cesare Franchini (2017). GW for transition metal oxide perovskites. Bulletin of the American Physical Society, 2017
Article169 days agoAnisotropic magnetic couplings and structure-driven canted to collinear transitions in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Sr</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>IrO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>by magnetically constrained noncollinear DFT
Peitao Liu, Sergii Khmelevskyi, Bongjae Kim, Martijn Marsman, Dianzhong Li, Xing‐Qiu Chen, D. D. Sarma, Kresse Georg, Cesare Franchini (2015). Anisotropic magnetic couplings and structure-driven canted to collinear transitions in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Sr</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>IrO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>by magnetically constrained noncollinear DFT. Physical Review B, 92(5), DOI: 10.1103/physrevb.92.054428.
Article179 days agoRelativistic <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math> +BSE study of the optical properties of Ruddlesden-Popper iridates
Peitao Liu, Bongjae Kim, Xing‐Qiu Chen, D. D. Sarma, Kresse Georg, Cesare Franchini (2018). Relativistic <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math> +BSE study of the optical properties of Ruddlesden-Popper iridates. Physical Review Materials, 2(7), DOI: 10.1103/physrevmaterials.2.075003.
Article174 days agoConverged <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math> quasiparticle energies for transition metal oxide perovskites
Zeynep Ergönenc, Bongjae Kim, Peitao Liu, Kresse Georg, Cesare Franchini (2018). Converged <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math> quasiparticle energies for transition metal oxide perovskites. Physical Review Materials, 2(2), DOI: 10.1103/physrevmaterials.2.024601.
Article175 days agoElectron and hole doping in the relativistic Mott insulator <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi mathvariant="bold">Sr</mml:mi><mml:mn mathvariant="bold">2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="bold">IrO</mml:mi><mml:mn mathvariant="bold">4</mml:mn></mml:msub></mml:mrow></mml:math> : A first-principles study using band unfolding technique
Peitao Liu, Michele Reticcioli, Bongjae Kim, A. Continenza, Kresse Georg, D. D. Sarma, Xing‐Qiu Chen, Cesare Franchini (2016). Electron and hole doping in the relativistic Mott insulator <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi mathvariant="bold">Sr</mml:mi><mml:mn mathvariant="bold">2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="bold">IrO</mml:mi><mml:mn mathvariant="bold">4</mml:mn></mml:msub></mml:mrow></mml:math> : A first-principles study using band unfolding technique. Physical review. B./Physical review. B, 94(19), DOI: 10.1103/physrevb.94.195145.
Article170 days ago