{"title":"Physical Properties and Mechanical Behavior of WSi2 at High Pressure","authors":"Lun Xiong, Mingquan Jiang, Xin He, Sheng Jiang","doi":"10.1007/s12633-024-03169-4","DOIUrl":null,"url":null,"abstract":"<div><p>In this study, we studied the compression behavior of tungsten disilicide (WSi<sub>2</sub>) 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. WSi<sub>2</sub> 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 WSi<sub>2</sub>. In addition, we studied the bulk modulus, electronic band structure, and density of states of WSi<sub>2</sub> to the highest pressure of 40 GPa using density functional theory based on first-principles. The theoretical calculation shows that the bulk modulus of WSi<sub>2</sub> is 242 GPa. The theoretical calculation results indicate that WSi<sub>2</sub> exhibits both semimetallic and non-magnetic properties throughout the entire pressure range of 0–40 GPa.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"16 18","pages":"6567 - 6573"},"PeriodicalIF":2.8000,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Silicon","FirstCategoryId":"88","ListUrlMain":"https://link.springer.com/article/10.1007/s12633-024-03169-4","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
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.
期刊介绍：
The journal Silicon is intended to serve all those involved in studying the role of silicon as an enabling element in materials science. There are no restrictions on disciplinary boundaries provided the focus is on silicon-based materials or adds significantly to the understanding of such materials. Accordingly, such contributions are welcome in the areas of inorganic and organic chemistry, physics, biology, engineering, nanoscience, environmental science, electronics and optoelectronics, and modeling and theory. Relevant silicon-based materials include, but are not limited to, semiconductors, polymers, composites, ceramics, glasses, coatings, resins, composites, small molecules, and thin films.
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