Calculations showing a correlation between electronic density and bulk modulus in fcc and bcc metals

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	Calculations showing a correlation between electronic density and bulk modulus in fcc and bcc metals
	D. Y. Cheng; S. Q. Wang; H. Q. Ye
	2001
发表期刊	Physical Review B
ISSN	0163-1829
卷号	64 期号:2
摘要	The linearized augmented-plane-wave method is used to study the electronic density nw, at the boundary of the Wigner-Seitz cell for bce and fee elemental metals. The calculated n(ws) is generally in good agreement with the results derived from an empirical formula that was introduced by Miedema and co-workers. A formula is introduced to calculate the bulk modulus of materials using n(ws), and from it another formula for calculating the relationship between the external pressure and the volume of materials is derived. As an example, the pressure-volume compression curve for Cu is calculated. The limitations and features of the conventional method and our method for calculating the bulk modulus of materials are discussed.
部门归属	chinese acad sci, inst met res, atom imaging solids lab, shenyang 110015, peoples r china.;cheng, dy (reprint author), chinese acad sci, inst met res, atom imaging solids lab, shenyang 110015, peoples r china
关键词	Plane-wave Method Brillouin-zone Special Points Liquid Alloys Heat
URL	查看原文
WOS记录号	WOS:000169835700029
引用统计	被引频次：17[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/321006/36613
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	D. Y. Cheng,S. Q. Wang,H. Q. Ye. Calculations showing a correlation between electronic density and bulk modulus in fcc and bcc metals[J]. Physical Review B,2001,64(2).
APA	D. Y. Cheng,S. Q. Wang,&H. Q. Ye.(2001).Calculations showing a correlation between electronic density and bulk modulus in fcc and bcc metals.Physical Review B,64(2).
MLA	D. Y. Cheng,et al."Calculations showing a correlation between electronic density and bulk modulus in fcc and bcc metals".Physical Review B 64.2(2001).