title: High-pressure dielectric behavior of BaMoO4: a combined experimental and theoretical study.
abstract: In situ impedance measurements were employed to investigate the electrical transport properties of BaMoO4under pressures of up to 20.0 GPa. Two anomalous changes in the electrical parameters were found, related to the pressure-induced structural phase transitions. The dielectric performance of BaMoO4was improved by pressure. The dispersion in the real part of dielectric constant versus frequency weakens with increasing pressure. Based on the first-principles calculations, the increases of resistance with increasing pressure in the tetragonal and monoclinic phases were mainly caused by the increasing defect levels. The decrease of the relative permittivity in the tetragonal phase was attributed to pressure-induced strengthening in electronic localization around Mo atoms, which hindered the polarization of Mo-O electric dipoles.
authors.affiliation: State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, China. cc060109@qq.com.
authors.forename: Tianru
authors.initials: T
authors.lastname: Qin
authors.affiliation: Shandong Key Laboratory of Optical Communication Science and Technology, School of Physics Science & Information Technology of Liaocheng University, Liaocheng 252059, China.
authors.forename: Qinglin
authors.initials: Q
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, China. cc060109@qq.com.
authors.forename: Li
authors.initials: L
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, China. cc060109@qq.com.
authors.forename: Huacai
authors.initials: H
authors.lastname: Yan
authors.affiliation: State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, China. cc060109@qq.com.
authors.forename: Cailong
authors.initials: C
authors.lastname: Liu
authors.affiliation: State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, China. cc060109@qq.com.
authors.forename: Yonghao
authors.initials: Y
authors.lastname: Han
authors.affiliation: Department of Mechanical Engineering, Texas Tech University, Lubbock, Texas 79409, USA and Center for High Pressure Science & Technology Advanced Research, Changchun 130012, China.
authors.forename: Yanzhang
authors.initials: Y
authors.lastname: Ma
authors.affiliation: State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, China. cc060109@qq.com.
authors.forename: Chunxiao
authors.initials: C
authors.lastname: Gao