標題: Structural stability of diffusion barriers in thermoelectric SbTe: From first-principles calculations to experimental results
作者: Hsu, Hsiao-Hsuan
Cheng, Chun-Hu
Chiou, Shan-Haw
Huang, Chiung-Hui
Liu, Chia-Mei
Lin, Yu-Li
Chao, Wen-Hsuan
Yang, Ping-Hsing
Chang, Chun-Yen
Cheng, Chin-Pao
電子工程學系及電子研究所
Department of Electronics Engineering and Institute of Electronics
關鍵字: Thermoelectric device;Diffusion barrier;SbTe;First-principles calculations
公開日期: 5-三月-2014
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. (C) 2013 Elsevier B. V. All rights reserved.
URI: http://dx.doi.org/10.1016/j.jallcom.2013.11.138
http://hdl.handle.net/11536/23568
ISSN: 0925-8388
DOI: 10.1016/j.jallcom.2013.11.138
期刊: JOURNAL OF ALLOYS AND COMPOUNDS
Volume: 588
Issue: 
起始頁: 633
結束頁: 637
顯示於類別:期刊論文


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