Possibility of superconductivity in intercalation compound related to MgB2

被引：5

作者：

Kato, N ^{[1
]}

Nagao, H

Nishikawa, K

Nishidate, K

Endo, K

机构：

[1] Kanazawa Univ, Fac Sci, Dept Chem, Kanazawa, Ishikawa 9201192, Japan

[2] Kanazawa Univ, Fac Sci, Dept Computat Sci, Kanazawa, Ishikawa 9201192, Japan

[3] Iwate Univ, Fac Engn, Dept Elect & Elect Engn, Morioka, Iwate 0208550, Japan

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2004年 / 96卷 / 05期

关键词：

MgB2; superconductivity; intercalation compounds; electronic band structure;

D O I：

10.1002/qua.10625

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We investigated the electronic structure of MgB2 and intercalation compounds, MgBX (X = Li, Be, Q, with fully relaxed crystal structure by using density functional theory. The compounds MgBLi and MgBBe could be similar two-band superconductors to MgB2 because the Fermi surface crosses a and ir bands. Our results indicate that changing the lattice constants, hole or electron doping, and stacking of B-X effect the energy levels of the sigma and pi bands in MgBX compounds. (C) 2003 Wiley Periodicals, Inc.

引用

页码：457 / 462

页数：6

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