Elastic Constants of Na and K from Non-parameter Perturbation Calculation

Chin. Phys. Lett.

2001, Vol. 18

Issue (9): 1237-1239 DOI:

Original Articles

Elastic Constants of Na and K from Non-parameter Perturbation Calculation

CHEN Jun¹;JING Fu-Qian^1,3;CHEN Dong-Quan²;ZHANG Jing-Lin²;DUAN Su-Qing²

¹Laboratory for Shock Wave and Detonation Physics Research, Southwest Institute of Fluid Physics, P. O. Box 919-111, Mianyang 621900 ²Institute of Applied Physics and Computational Mathematics, Beijing 100088 ³Institute of High Temperature and High Pressure Physics, Southwest Jiaotong University, Chengdu 610031

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CHEN Jun, JING Fu-Qian, CHEN Dong-Quan et al 2001 Chin. Phys. Lett. 18 1237-1239

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Abstract Combined a linear muffin-tin orbital method, which can be used to calculate the total energy and pressure of solids in self-consistent manner, with a generalized elastic energy equation, a non-parameter perturbation method was proposed to compute the elastic constant for cubic metals. The pressure dependence of the shear modulus and bulk modulus for Na and K was calculated. It was found that the computed results agree well with experiments.

Keywords: 62.20.Dc 62.50.+p 71.15.Nc

Published: 01 September 2001

PACS:	62.20.Dc
	62.50.+p
	71.15.Nc	(Total energy and cohesive energy calculations)

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https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y2001/V18/I9/01237

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