Structural and Electronic Properties of Cubic Bifeo3 from First-Principles Calculations

Runqing Zhang; Lingling Bai; Ziqiao Wu; Huafeng Dong; Minru Wen; Fu‐Gen Wu

doi:10.2139/ssrn.4208074

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Structural and Electronic Properties of Cubic Bifeo3 from First-Principles Calculations

Runqing Zhang Lingling Bai Ziqiao Wu Huafeng Dong Minru Wen Fu‐Gen Wu

Year: 2022 Journal: SSRN Electronic Journal Publisher: RELX Group (Netherlands)

DOI: 10.2139/ssrn.4208074

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Keywords:

Cubic crystal system Condensed matter physics Materials science Density functional theory Brillouin zone Electronic band structure Electronic structure Band gap Phase (matter) Phonon Valence (chemistry) Chemistry Physics Computational chemistry Quantum mechanics

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Magnetic and transport properties of perovskites and related materials

Physical Sciences → Materials Science → Electronic, Optical and Magnetic Materials

Multiferroics and related materials

Physical Sciences → Materials Science → Electronic, Optical and Magnetic Materials

Advanced Condensed Matter Physics

Physical Sciences → Physics and Astronomy → Condensed Matter Physics

Structural and Electronic Properties of Cubic Bifeo3 from First-Principles Calculations

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