Elastic constants of superconducting MgB2 from molecular dynamics simulations with shell model

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	Elastic constants of superconducting MgB2 from molecular dynamics simulations with shell model
	Y. D. Guo; X. R. Chen; X. D. Yang; Q. Q. Gou
	2005
发表期刊	Communications in Theoretical Physics
ISSN	0253-6102
卷号	44 期号:5 页码:936-940
摘要	The elastic constants of superconducting MgB2 are calculated using a molecular dynamics method (MD) with shell model. The lattice parameters, live independent elastic constants, equations of state (EOS), Debye temperature, and bulk modulus of MgB2,are obtained. Meanwhile, the dependence of the bulk modulus B, the lattice parameters a and c, and the unit cell volume V on the applied pressure are presented. It is demonstrated that the method introduced here can well reproduce the experimental results with a reasonable accuracy.
部门归属	sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china. neijiang teachers coll, dept phys, neijiang 641112, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;chen, xr (reprint author), sichuan univ, inst atom & mol phys, chengdu 610065, peoples r china;xrchen@126.com
关键词	Mgb2 Elastic Constants Shell Model Molecular Dynamics Pressure
URL	查看原文
WOS记录号	WOS:000233657100036
引用统计	被引频次：4[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/34859
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. D. Guo,X. R. Chen,X. D. Yang,et al. Elastic constants of superconducting MgB2 from molecular dynamics simulations with shell model[J]. Communications in Theoretical Physics,2005,44(5):936-940.
APA	Y. D. Guo,X. R. Chen,X. D. Yang,&Q. Q. Gou.(2005).Elastic constants of superconducting MgB2 from molecular dynamics simulations with shell model.Communications in Theoretical Physics,44(5),936-940.
MLA	Y. D. Guo,et al."Elastic constants of superconducting MgB2 from molecular dynamics simulations with shell model".Communications in Theoretical Physics 44.5(2005):936-940.