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Physical Properties and Mechanical Behavior of WSi2 at High Pressure

  • Lun Xiong,
  • Mingquan Jiang,
  • Xin He,
  • Sheng Jiang

摘要

In this study, we studied the compression behavior of tungsten disilicide (WSi2) to 35.5 GPa using synchrotron radiation X-ray diffraction with silicon oil as the pressure transmission medium in a diamond anvil at room temperature. WSi2 did not undergo a structural phase transition within the pressure range studied. By fitting the volume data under different pressures, we obtained a bulk modulus of 289(3) GPa for WSi2. In addition, we studied the bulk modulus, electronic band structure, and density of states of WSi2 to the highest pressure of 40 GPa using density functional theory based on first-principles. The theoretical calculation shows that the bulk modulus of WSi2 is 242 GPa. The theoretical calculation results indicate that WSi2 exhibits both semimetallic and non-magnetic properties throughout the entire pressure range of 0–40 GPa.