Chemical bonding, conductive network, and thermoelectric performance of the ternary semiconductors Cu_2SnZ_3 (X = Se, S) from first principles

著录项

• 来源
  《Physical review》 |2012年第15期|155201.1-155201.14|共14页
• 作者

  L. Xi; Y. B. Zhang; X. Y. Shi; J. Yang; X. Shi; L. D. Chen; W. Zhang; Jihui Yang; D. J. Singh;

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• 作者单位

  State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China;

  State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China;

  State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China;

  State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China;

  State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China;

  State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China;

  State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China;

  Materials Science and Engineering Department, University of Washington, Seattle, WA 98195-2120, USA;

  Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6056, USA;

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• 原文格式 PDF
• 正文语种 eng
• 中图分类
• 关键词

  thermoelectric and thermomagnetic effects; semiconductor compounds; narrow-band systems; intermediate-valence solids; density functional theory, local density approximation, gradient and other corrections;

  机译：热电和热磁效应;半导体化合物窄带系统;中价固体;密度泛函理论;局部密度近似;梯度和其他校正;