Effects of Na, Mg and Al substitution in hypothetical superconducting Be2B

被引：7

作者：

Kadri, M. T. ^{[1
]}

Heciri, D. ^{[1
]}

Derradji, N. E. ^{[1
]}

Belfarhi, B. ^{[1
]}

Belkhir, H. ^{[1
]}

机构：

[1] LPG, Guelma, Algeria

来源：

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2008年 / 245卷 / 12期

关键词：

D O I：

10.1002/pssb.200844153

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

A theoretical Study of the structural and electronic properties of the beryllium semiboride Be2B and its ternary phases (AlBeB, NaBeB and MgBeB) is presented using the full-potential linearized augmented plane wave method. Exchange and correlation effects are treated within the Perdew-Wang local density approximation and the Perdew-Burke-Ernzerhof generalized gradient approximation. Results are given for lattice constant and bulk modulus and its pressure derivative. Band structure, density of states and charge density are also given. We also have examined the possibility of modifying the band structure of Be,B via partial substitution of Al, Mg and Na for Be, in order to predict possible superconductive properties for these compounds. (C) 2008 WILEY-VCH Verlaq GmbH & Co. KGaA, Weinheim

引用

页码：2779 / 2785

页数：7

共 33 条

[1]

Blaha P, 2001, WIEN2K AUGMENTED PLA

[2] Boron isotope effect in superconducting MgB2 [J].