Pressure-induced insulator-to-metal transition in α-SnWO4

16th International Conference on X-ray Absorption Fine Structure

Kuzmin, Alexei^1 ; Anspoks, Andris^1 ; Kalinko, Aleksandr^2,3 ; Timoshenko, Janis^1 ; Kalendarev, Robert^1 ; Nataf, Lucie^4 ; Baudelet, François^4 ; Irifune, Tetsuo^5 ; Roy, Pascale^4

Institute of Solid State Physics, University of Latvia, Riga, Latvia^1

University of Paderborn, Faculty of Sciences, Department of Chemistry, Germany^2

DESY Photon Science, Hamburg, Germany^3

Synchrotron SOLEIL, L'Orme des Merisiers, Saint-Aubin, Gif-sur-Yvette, France^4

Geodynamics Research Center, Ehime University, Ehime, Matsuyama, Japan^5

关键词: First-principles calculation;    High pressure;    Insulator-to-metal transitions;    Mid-infrared spectroscopy;    Oxygen octahedra;    Strong interaction;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/712/1/012122/pdf
DOI  :  10.1088/1742-6596/712/1/012122

来源: IOP

【 摘 要 】

In-situ high-pressure W L1and L3edges x-ray absorption and mid-infrared spectroscopies complemented by first-principles calculations suggest the existence of pressure- induced insulator-to-metal transition in α-SnWO4in the range of 5-7 GPa. Its origin is explained by a symmetrization of metal-oxygen octahedra due to a strong interaction of Sn 5s, W 5d and O 2p states along the b-axis direction, leading to a collapse of the band gap.