title: Exploring the coordination change of vanadium and structure transformation of metavanadate MgV2O6under high pressure.
abstract: Raman spectroscopy, synchrotron angle-dispersive X-ray diffraction (ADXRD), first-principles calculations, and electrical resistivity measurements were carried out under high pressure to investigate the structural stability and electrical transport properties of metavanadate MgV2O6. The results have revealed the coordination change of vanadium ions (from 5+1 to 6) at around 4 GPa. In addition, a pressure-induced structure transformation from the C2/m phase to the C2 phase in MgV2O6was detected above 20 GPa, and both phases coexisted up to the highest pressure. This structural phase transition was induced by the enhanced distortions of MgO6octahedra and VO6octahedra under high pressure. Furthermore, the electrical resistivity decreased with pressure but exhibited different slope for these two phases, indicating that the pressure-induced structural phase transitions of MgV2O6was also accompanied by the obvious changes in its electrical transport behavior.
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China.|Center for High Pressure Science and Technology Advanced Research, Changchun 130012, China.
authors.forename: Ruilian
authors.initials: R
authors.lastname: Tang
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China.
authors.forename: Yan
authors.initials: Y
authors.lastname: Li
authors.affiliation: Center for High Pressure Science and Technology Advanced Research, Changchun 130012, China.
authors.forename: Shengyi
authors.initials: S
authors.lastname: Xie
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China.|Center for High Pressure Science and Technology Advanced Research, Changchun 130012, China.
authors.forename: Nana
authors.initials: N
authors.lastname: Li
authors.affiliation: Center for High Pressure Science and Technology Advanced Research, Changchun 130012, China.|Center for the Study of Matter at Extreme Condition, Department of Mechanical and Materials Engineering, Florida International University, Miami, FL 33199, USA.
authors.forename: Jiuhua
authors.initials: J
authors.lastname: Chen
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China.
authors.forename: Chunxiao
authors.initials: C
authors.lastname: Gao
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China.
authors.forename: Pinwen
authors.initials: P
authors.lastname: Zhu
authors.affiliation: State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China.
authors.forename: Xin
authors.initials: X
authors.lastname: Wang