Structural and elastic properties of MgB(2) under high pressure

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	Structural and elastic properties of MgB(2) under high pressure
	H. Y. Wang; X. R. Chen; W. J. Zhu; Y. Cheng
	2005
发表期刊	Physical Review B
ISSN	1098-0121
卷号	72 期号:17
摘要	We have investigated the structures and the elastic constants of hcp MgB(2) at high pressures using the full-potential linearized muffin-tin orbital (FP-LMTO) scheme within the generalized gradient approximation correction (GGA) in the frame of density functional theory (DFT). The obtained normalized volume dependence of the resulting pressure is in excellent agreement with experiment. The elastic constants and acoustic anisotropy as a function of the applied pressure are presented. An analysis for the calculated parameters has been made to reveal the anisotropy of MgB(2).
部门归属	sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. china acad engn phys, inst fluid phys, lab shock wave & detonat phys res, mianyang 621900, peoples r china.;wang, hy (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;xrchen@126.com
关键词	Superconducting Mgb2 1st-principles Calculations Thermodynamic Properties Total Energies Constants Crystals Systems Band
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/35073
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. Y. Wang,X. R. Chen,W. J. Zhu,et al. Structural and elastic properties of MgB(2) under high pressure[J]. Physical Review B,2005,72(17).
APA	H. Y. Wang,X. R. Chen,W. J. Zhu,&Y. Cheng.(2005).Structural and elastic properties of MgB(2) under high pressure.Physical Review B,72(17).
MLA	H. Y. Wang,et al."Structural and elastic properties of MgB(2) under high pressure".Physical Review B 72.17(2005).