High-pressure structural and electronic properties of InN

	High-pressure structural and electronic properties of InN
	Feng, Wenxia 1; Cui, Shouxin 1; Hu, Haiquan 1; Zhao, Wei2
刊名	PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
	2010-02-01
卷号	247 期号:2 页码:313-317
英文摘要	We theoretically study the electronic properties, and,pressure-induced solid-solid phase transformation by InN by using the first-principles pseudopotential method. The wurtzite (B4), rocksalt (B1), zinc-blende (B3), CsCl-type (B2), and Cmcm crystal structures of InN have been considered. The calculations indicate that the phase transitions from B4 phase to B1 phase and B3 structure to B1 structure occur at a transition pressure of 10.2 and 9.6 GPa, respectively. The detailed volume changes during the phase transformations were analyzed. Moreover, the analysis of the band structure indicates that the bandgap of B4 phase is direct, while B1 phase is indirect under high-pressure. The mechanism of these changes of band structures was analyzed. The positive pressure derivative of the indirect and direct gap indicates that it is impossible to make B1 phase of InN metallic up to 200 GPa. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
WOS标题词	Science & Technology ; Physical Sciences
类目[WOS]	Physics, Condensed Matter
研究领域[WOS]	Physics
关键词[WOS]	FUNDAMENTAL-BAND GAP ; GROUP-III NITRIDES ; PHASE ; SEMICONDUCTORS ; STABILITY ; GROWTH ; ENERGY ; STATE ; GPA
收录类别	SCI
语种	英语
WOS记录号	WOS:000274607500013
内容类型	期刊论文
源URL	[http://119.78.226.72/handle/331011/26302]
专题	上海天文台_天文地球动力学研究中心
作者单位	1.Liaocheng Univ, Sch Phys Sci & Informat Technol, Liaocheng 252059, Peoples R China 2.Chinese Acad Sci, Shanghai Astron Observ, Shanghai 200030, Peoples R China
推荐引用方式 GB/T 7714	Feng, Wenxia,Cui, Shouxin,Hu, Haiquan,et al. High-pressure structural and electronic properties of InN[J]. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS,2010,247(2):313-317.
APA	Feng, Wenxia,Cui, Shouxin,Hu, Haiquan,&Zhao, Wei.(2010).High-pressure structural and electronic properties of InN.PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS,247(2),313-317.
MLA	Feng, Wenxia,et al."High-pressure structural and electronic properties of InN".PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 247.2(2010):313-317.