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- S. Q. Wang
- Chinese Academy of Sciences Shenyang National Laboratory for Materials Science, Institute of Metal Research, , 72 Wenhua Road, Shenyang 110016, People’s Republic of China
書誌事項
- 公開日
- 2006-02-06
- DOI
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- 10.1063/1.2172145
- 公開者
- AIP Publishing
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説明
<jats:p>In this letter, a first-principles study of the anisotropic thermal expansion of wurtzite ZnS in the framework of the density-functional theory and the density-functional perturbation theory is reported. The compound in zinc blende structure is also studied for comparison. The curves of the linear and volume thermal expansion coefficients to temperature are presented. The volume thermal expansion coefficient of zinc blende ZnS changes from smaller to larger than that of wurtzite ZnS as temperature increases. The theoretical cross point is at 867 K. The recent experimental observation of phase controlled synthesis of ZnS nanomaterials is explained from the viewpoint of Gibbs free energy.</jats:p>
収録刊行物
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- Applied Physics Letters
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Applied Physics Letters 88 (6), 061902-, 2006-02-06
AIP Publishing
