Electronic and Lattice Properties of MgB<FONT SIZE="-1"><SUB>2</SUB></FONT> under a,b-axis Compression

Journal of the Physical Society of Japan

Online ISSN : 1347-4073
Print ISSN : 0031-9015
ISSN-L : 0031-9015

Electronic and Lattice Properties of MgB₂ under a,b-axis Compression

Kazuaki Kobayashi, Kazuo Yamamoto

著者情報

キーワード: MgB₂, a, b-axis compression, high pressure, first-principles, electronic structure, phonon frequency, anisotropy

ジャーナル認証あり

2002 年 71 巻 2 号 p. 397-400

DOI https://doi.org/10.1143/jpsj.71.397

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抄録

The electronic and lattice properties of MgB₂ under a, b-axis compression are calculated. The lattice properties are optimized automatically by the first-principles molecular dynamics (FPMD) method. The features of the electronic band structures and phonon frequencies (Γ point) under uniaxial (c-axis) and a, b-axis compression are quite different from each other.

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© The Physical Society of Japan 2002

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