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First-principles predictions of low-energy phases of multiferroic BiFeO3
First-principles predictions multiferroic BiFeO3
2010/11/17
We used rst-principles methods to perform a systematic search for potentially-stable phases of multiferroic BiFeO3. We considered a simulation cell compatible with the atomic distortions that are mos...
Gersten has shown how Maxwell equations can be derived from first principles, similar to those which have been used to obtain the Dirac relativistic electron equation. We show how Proca equations can ...
First-Principles Studies for the Electronic Structures of Diluted
Magnetic Semiconductors (Ga, Fe)As
diluted magnetic semiconductor electronic band calculation
ferromagnetism
2007/8/15
2003Vol.40No.4pp.499-502DOI:
First-Principles Studies for the Electronic Structures of Diluted
Magnetic Semiconductors (Ga, Fe)As
WEI Shu-Yi, WANG Tian-Xing, YANG Zong-Xian, and ...
We present state of art first-principles study on the static and dynamic properties of BaTiO3, a typical ferroelectric material. Here, structure, equation of state, phase stability, and phase transfor...