High-pressure investigations on the isostructural phase transition and metallization in realgar with diamond anvil cells  

作　　者：Linfei Yang Lidong Dai Heping Li Haiying Hu Meiling Hong Xinyu Zhang Pengfei Liu 

机构地区：[1]Key Laboratory of High-Temperature and High-Pressure Study of the Earth’s Interior,Institute of Geochemistry,Chinese Academy of Sciences,Guiyang,Guizhou,550081,China [2]University of Chinese Academy of Sciences,Beijing,100049,China [3]State Key Laboratory of Structural Chemistry,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences,Fuzhou,Fujian,350002,China

出　　处：《Geoscience Frontiers》2021年第2期1031-1037,共7页地学前缘（英文版）

基　　金：the strategic priority Research Program(B)of the Chinese Academy of Sciences(Grant No.18010401);Key Research Program of Frontier Sciences of CAS(Grant No.QYZDB-SSW-DQC009);Hundred Talents Program of CAS,NSF of China(Grant Nos.41774099 and 41772042);Youth Innovation Promotion Association of CAS(Grant No.2019390);Special Fund of the West Light Foundation of CAS;the Supercomputer Center of Fujian Institute of Research on the Structure of Matter(FJIRSM)is acknowledged.

摘　　要：The high-pressure structural,vibrational and electrical properties for realgar were investigated by in-situ Raman scattering and electrical conductivity experiments combined with first-principle calculations up to~30.8 GPa.It was verified that realgar underwent an isostructural phase transition at~6.3 GPa and a metallization at a higher pressure of~23.5 GPa.The isostructural phase transition was well evidenced by the obvious variations of Raman peaks,electrical conductivity,crystal parameters and the As–S bond length.The phase transition of metallization was in closely associated with the closure of bandgap rather than caused by the structural phase transition.And furthermore,the metallic realgar exhibited a relatively low compressibility with the unit cell volume V_(0)=718.1.4Å^(3)and bulk modulus B_(0)=36.1 GPa.

关 键 词：REALGAR Isostructural phase transition METALLIZATION Raman spectroscopy Electrical conductivity High pressure 

分 类 号：P584[天文地球—岩石学]