title: Structural Phase Transitions and Metallized Phenomena in Arsenic Telluride under High Pressure.
abstract: In this study, first-principle calculations, in situ angle-dispersive X-ray diffraction, and in situ electrical resistance measurements were performed on arsenic telluride (As2Te3) under high pressure. Structural phase transitions and metallized phenomena were observed from the calculated and experimental results. Upon compression, α-As2Te3 transforms into phases α' and α″ at ∼5.09 and ∼13.2 GPa, respectively, with two isostructural phase transitions. From 13.2 GPa, As2Te3 starts to transform into phase γ, with one first-order monoclinic to monoclinic crystal structural phase transition. According to the first-principle calculations and electrical resistance measurements, the structural phase transitions in the compression process induce the transformation from an insulator (phase α) across a semimetal (phase α') into a metal (phases α″ and γ). The evolution of the structure and transport property upon compression on As2Te3 is helpful for understanding the properties of other A2B3-type compounds under high pressure.
authors.forename: Jinggeng
authors.initials: J
authors.lastname: Zhao
authors.affiliation: Center for High Pressure Science and Technology Advanced Research , Shanghai 201203, China.|High Pressure Synergetic Consortium (HPSynC), Geophysical Laboratory, Carnegie Institution of Washington , Argonne, Illinois 60439, United States.
authors.forename: Liuxiang
authors.initials: L
authors.lastname: Yang
authors.affiliation: Center for High Pressure Science and Technology Advanced Research , Shanghai 201203, China.
authors.forename: Zhenhai
authors.initials: Z
authors.lastname: Yu
authors.forename: Yong
authors.initials: Y
authors.lastname: Wang
authors.affiliation: Center for High Pressure Science and Technology Advanced Research , Shanghai 201203, China.
authors.forename: Chunyu
authors.initials: C
authors.lastname: Li
authors.affiliation: Shanghai Institute of Applied Physics, Chinese Academy of Sciences , Shanghai 201203, China.
authors.forename: Ke
authors.initials: K
authors.lastname: Yang
authors.forename: Zhiguo
authors.initials: Z
authors.lastname: Liu
authors.forename: Yi
authors.initials: Y
authors.lastname: Wang