Structural stability of diffusion barriers in thermoelectric SbTe: From first-principles calculations to experimental results

Hsiao Hsuan Hsu, Chun Hu Cheng*, Shan Haw Chiou, Chiung Hui Huang, Chia Mei Liu, Yu Li Lin, Wen Hsuan Chao, Ping Hsing Yang, Chun Yen Chang, Chin Pao Cheng

*此作品的通信作者

研究成果: 雜誌貢獻期刊論文同行評審

6 引文 斯高帕斯(Scopus)

摘要

This study involved developing robust diffusion barrier for n-type antimony telluride (SbTe) thermoelectric devices. Compared to conventional Ni barrier, the mid-band metals of Ta and TaN with favored ohmic-like contact exhibited smaller diffusion tail because of structurally stable interface on SbTe, which have been supported by first-principles calculations and demonstrated by experimental results. Furthermore, the TaN barrier has strong ionic Ta-N bonding and a high total energy of -4.7 eV/atom that could effectively suppress the formation of SbTe-compounds interfacial layer.

原文英語
頁(從 - 到)633-637
頁數5
期刊Journal of Alloys and Compounds
588
DOIs
出版狀態已發佈 - 2014 三月 5

ASJC Scopus subject areas

  • 材料力學
  • 機械工業
  • 金屬和合金
  • 材料化學

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