SEMI OpenIR  > 中科院半导体材料科学重点实验室
Phonon and Elastic Instabilities in Zincblende TlN under Hydrostatic Pressure from First Principles Calculations
Shi, LW; Duan, YF; Yang, XQ; Tang, G; Shi, LW (reprint author), China, Univ Min & Technol, Dept Phys, Sch Sci, Xuzhou 221116, Peoples R China,Liweishi@semi.ac.cn
2011
Source PublicationCHINESE PHYSICS LETTERS
ISSN0256-307X
Volume28Issue:10Pages:100503
AbstractThe 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.
metadata_83中科院半导体材料科学重点实验室
KeywordAb-initio State Properties v Compounds 1st-principles Nitride Bcc
Subject Area半导体材料
Funding OrganizationNational Natural Science Foundation of China[11047128, 11004242, 11047129]; China University of Mining and Technology[2009A048]; Fundamental Research Funds for the Central Universities[2010LKWL01, 2010LKWL02, 2010LKWL09]
Indexed BySCI
Language英语
Date Available2012-02-06
Document Type期刊论文
Identifierhttp://ir.semi.ac.cn/handle/172111/22793
Collection中科院半导体材料科学重点实验室
Corresponding AuthorShi, LW (reprint author), China, Univ Min & Technol, Dept Phys, Sch Sci, Xuzhou 221116, Peoples R China,Liweishi@semi.ac.cn
Recommended Citation
GB/T 7714
Shi, LW,Duan, YF,Yang, XQ,et al. Phonon and Elastic Instabilities in Zincblende TlN under Hydrostatic Pressure from First Principles Calculations[J]. CHINESE PHYSICS LETTERS,2011,28(10):100503.
APA Shi, LW,Duan, YF,Yang, XQ,Tang, G,&Shi, LW .(2011).Phonon and Elastic Instabilities in Zincblende TlN under Hydrostatic Pressure from First Principles Calculations.CHINESE PHYSICS LETTERS,28(10),100503.
MLA Shi, LW,et al."Phonon and Elastic Instabilities in Zincblende TlN under Hydrostatic Pressure from First Principles Calculations".CHINESE PHYSICS LETTERS 28.10(2011):100503.
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