Ab initio elasticity and lattice dynamics of AgGaSe2

淡江大學機構典藏 > 理學院 > 物理學系暨研究所 > 期刊論文 > Item 987654321/27625

jsp.display-item.identifier=請使用永久網址來引用或連結此文件: https://tkuir.lib.tku.edu.tw/dspace/handle/987654321/27625

题名:	Ab initio elasticity and lattice dynamics of AgGaSe2
作者:	Karki, B. B.;Clark, S. J.;Warren, M. C.;薛宏中;Hsueh, Hung-Chung;Ackland, G. J.;Crain, Jason
贡献者:	淡江大學物理學系
日期:	1997-01-13
上传时间:	2009-12-31 10:30:47 (UTC+8)
出版者:	Institute of Physics
摘要:	The structural, elastic and vibrational properties of the ternary semiconductor AgGaSe2 chalcopyrite are studied using the pseudopotential method within the local density approximation. The lattice constants and internal parameter are in good agreement with experiments. The elastic moduli derived from the stresses generated by small strains compare favourably with experiments and the material is elastically anisotropic. All zone-centre phonons are determined by diagonalization of the dynamical matrix derived from the forces generated by small ionic displacements. The calculated phonon frequencies are in excellent agreement with experiment and can be grouped into three bands. Two silent 02 modes are also obtained. The eigenvectors are used to discuss the three-band phonon spectrum and the spectroscopic activity of the modes.
關聯:	Journal of Physics: Condensed Matter 9(2), pp.375-380
DOI:	10.1088/0953-8984/9/2/005
显示于类别:	[物理學系暨研究所] 期刊論文

文件中的档案:

档案	描述	大小	格式	浏览次数
		0Kb	Unknown	636	检视/开启
Ab initio elasticity and lattice dynamics of AgGaSe2.pdf		465Kb	Adobe PDF	1	检视/开启
index.html		0Kb	HTML	209	检视/开启
index.html	館藏資訊	0Kb	HTML	314	检视/开启

在機構典藏中所有的数据项都受到原著作权保护.

TAIR相关文章