title: Determinations of the high-pressure crystal structures of Sb2Te3.
abstract: Using the angle-dispersive synchrotron x-ray powder diffraction technique in a diamond anvil cell, the high-pressure behaviors of antimony telluride (Sb(2)Te(3)) are explored up to 52.7 GPa at room temperature. Three high-pressure phases have been observed, at about 8.0 GPa, 13.2 GPa and above 21.6 GPa, respectively. Furthermore, the crystalline structures of these high-pressure phases are determined as monoclinic sevenfold C2/m phase, eightfold C2/c phase and disordered body-centered cubic structure (space group Im - 3m) respectively. The phase-transition sequences and pressures observed are well explained by first-principles calculations. The pressure dependence of the volume of all high-pressure phases is described by a third-order Birch-Murnaghan equation of state. All the high-pressure phases are metallic and the metallic character for β-, γ- and δ-Sb(2)Te(3) increases in turn based on the results of the electronic density of states calculated for each high-pressure phase.
authors.affiliation: Department of Agronomy, State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, People's Republic of China.
authors.forename: Yanmei
authors.initials: Y
authors.lastname: Ma
authors.forename: Guangtao
authors.initials: G
authors.lastname: Liu
authors.forename: Pinwen
authors.initials: P
authors.lastname: Zhu
authors.forename: Hui
authors.initials: H
authors.lastname: Wang
authors.forename: Xin
authors.initials: X
authors.lastname: Wang
authors.forename: Qiliang
authors.initials: Q
authors.lastname: Cui
authors.forename: Jing
authors.initials: J
authors.lastname: Liu
authors.forename: Yanming
authors.initials: Y
authors.lastname: Ma