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- W2095433054 abstract "Effects of the Jahn-Teller (JT) distortion and the strong electron-electron correlation on the electronic structure of perovskite oxides ${mathrm{LaMnO}}_{3}$ are studied by using the linear muffin-tin orbital method. Results show that the Jahn-Teller distortion has evident influence on the electronic structure and its influence varies with different magnetic configurations. On the other hand, the effect of strong electron-electron correlation depends on crystal structures. For distorted ${mathrm{LaMnO}}_{3}$ structure, the strong correlation affects the density of states and the band structure lightly, while for undistorted structure, its effect is much stronger. Our calculations indicate that the effect of Jahn-Teller distortion is more pronounced than that of strong electron-electron correlation in ${mathrm{LaMnO}}_{3}$ but the latter is important for calculation of total energy. To get the correct ground state as experiments reported for ${mathrm{LaMnO}}_{3},$ it is necessary to take the Jahn-Teller distortion, the electron-electron correlation, and antiferromagnetic ordering into consideration simultaneously." @default.
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- W2095433054 date "2000-01-01" @default.
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- W2095433054 title "Jahn-Teller effect and many-body correlation effect in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>LaMnO</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>" @default.
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- W2095433054 doi "https://doi.org/10.1103/physrevb.61.1223" @default.
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