High-temperature phase transitions in dense germanium

doi:10.1063/5.0047359

	High-temperature phase transitions in dense germanium
	Kelsall, Liam C.3,4; Pena-Alvarez, Miriam 3,4; Martinez-Canales, Miguel 3,4; Binns, Jack 2,5; Pickard, Chris J.1,6; Dalladay-Simpson, Philip 5; Howie, Ross T.5; Gregoryanz, Eugene 3,4,5,7
刊名	JOURNAL OF CHEMICAL PHYSICS
	2021-05-07
卷号	154
ISSN号	0021-9606
DOI	10.1063/5.0047359
通讯作者	Pena-Alvarez, Miriam(mpenaal@ed.ac.uk)
英文摘要	Through a series of high-pressure x-ray diffraction experiments combined with in situ laser heating, we explore the pressure-temperature phase diagram of germanium (Ge) at pressures up to 110 GPa and temperatures exceeding 3000 K. In the pressure range of 64-90 GPa, we observe orthorhombic Ge-IV transforming above 1500 K to a previously unobserved high-temperature phase, which we denote as Ge-VIII. This high-temperature phase is characterized by a tetragonal crystal structure, space group I4/mmm. Density functional theory simulations confirm that Ge-IV becomes unstable at high temperatures and that Ge-VIII is highly competitive and dynamically stable at these conditions. The existence of Ge-VIII has profound implications for the pressure-temperature phase diagram, with melting conditions increasing to much higher temperatures than previous extrapolations would imply.
资助项目	European Research Council (ERC) Grant Hecate[695527] ; UKRI Future Leaders Fellowship[Mrc-Mr/T043733/1] ; EPSRC[EP/P022561/1] ; National Science Foundation of China[11974034]
WOS关键词	X-RAY-DIFFRACTION ; HIGH-PRESSURE PHASE ; CRYSTAL-STRUCTURE ; MELTING BEHAVIOR ; IMMA PHASE ; SILICON ; GE ; SYSTEM ; GPA ; SI
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000646354000006
资助机构	European Research Council (ERC) Grant Hecate ; UKRI Future Leaders Fellowship ; EPSRC ; National Science Foundation of China
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/122345]
专题	中国科学院合肥物质科学研究院
通讯作者	Pena-Alvarez, Miriam
作者单位	1.Tohoku Univ, Adv Inst Mat Res, Aoba Ku, 2-1-1 Katahira, Sendai, Miyagi, Japan 2.RMIT Univ, Sch Sci, Melbourne, Vic 3000, Australia 3.Univ Edinburgh, Sch Phys & Astron, SUPA, Peter Guthrie Tait Rd, Edinburgh EH9 3FD, Midlothian, Scotland 4.Univ Edinburgh, CSEC, Peter Guthrie Tait Rd, Edinburgh EH9 3FD, Midlothian, Scotland 5.Ctr High Pressure Sci & Technol Adv Res, Shanghai, Peoples R China 6.Univ Cambridge, Dept Mat Sci & Met, Cambridge, England 7.Chinese Acad Sci, Key Lab Mat Phys, Inst Solid State Phys, Hefei, Peoples R China
推荐引用方式 GB/T 7714	Kelsall, Liam C.,Pena-Alvarez, Miriam,Martinez-Canales, Miguel,et al. High-temperature phase transitions in dense germanium[J]. JOURNAL OF CHEMICAL PHYSICS,2021,154.
APA	Kelsall, Liam C..,Pena-Alvarez, Miriam.,Martinez-Canales, Miguel.,Binns, Jack.,Pickard, Chris J..,...&Gregoryanz, Eugene.(2021).High-temperature phase transitions in dense germanium.JOURNAL OF CHEMICAL PHYSICS,154.
MLA	Kelsall, Liam C.,et al."High-temperature phase transitions in dense germanium".JOURNAL OF CHEMICAL PHYSICS 154(2021).