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	Phonon and elastic instabilities in zincblende tln under hydrostatic pressure from first principles calculations
	Shi Li-Wei1,2; Duan Yi-Feng1; Yang Xian-Qing1; Tang Gang1
刊名	Chinese physics letters
	2011-10-01
卷号	28期号:10页码:4
ISSN号	0256-307X
DOI	10.1088/0256-307x/28/10/100503
通讯作者	Shi li-wei(liweishi@semi.ac.cn)
英文摘要	The lattice dynamic and elastic instabilities of zincblende (zb) thallium nitride (tln) under hydrostatic pressure are extensively studied to reveal the physically driven mechanism of phase transition from the zb to a rocksalt structure using pseudopotential plane-wave density functional calculations within the local density approximation. our calculated results shows that both transverse acoustic phonon mode softening behavior and elastic instability are responsible for the pressure-induced structural phase transition in zb tln.
WOS关键词	AB-INITIO ; STATE PROPERTIES ; V COMPOUNDS ; 1ST-PRINCIPLES ; NITRIDE ; FCC ; BCC
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
语种	英语
出版者	IOP PUBLISHING LTD
WOS记录号	WOS:000295975100008
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2428396
专题	半导体研究所
通讯作者	Shi Li-Wei
作者单位	1.China Univ Min & Technol, Dept Phys, Sch Sci, Xuzhou 221116, Peoples R China 2.Chinese Acad Sci, Inst Semicond, Key Lab Semicond Mat Sci, Beijing 100083, Peoples R China
推荐引用方式 GB/T 7714	Shi Li-Wei,Duan Yi-Feng,Yang Xian-Qing,et al. Phonon and elastic instabilities in zincblende tln under hydrostatic pressure from first principles calculations[J]. Chinese physics letters,2011,28(10):4.
APA	Shi Li-Wei,Duan Yi-Feng,Yang Xian-Qing,&Tang Gang.(2011).Phonon and elastic instabilities in zincblende tln under hydrostatic pressure from first principles calculations.Chinese physics letters,28(10),4.
MLA	Shi Li-Wei,et al."Phonon and elastic instabilities in zincblende tln under hydrostatic pressure from first principles calculations".Chinese physics letters 28.10(2011):4.

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