@article{3b5a1ba065be4e5fb486317bb0e265e9,
title = "Structural stability of diffusion barriers in thermoelectric SbTe: From first-principles calculations to experimental results",
abstract = "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.",
keywords = "Diffusion barrier, First-principles calculations, SbTe, Thermoelectric device",
author = "Hsu, {Hsiao Hsuan} and Cheng, {Chun Hu} and Chiou, {Shan Haw} and Huang, {Chiung Hui} and Liu, {Chia Mei} and Lin, {Yu Li} and Chao, {Wen Hsuan} and Yang, {Ping Hsing} and Chang, {Chun Yen} and Cheng, {Chin Pao}",
note = "Funding Information: The authors are grateful to the Bureau of Energy, Ministry of Economic Affairs, Taiwan, ROC and the National Science Council (NSC) of Taiwan, ROC, for the financial support.",
year = "2014",
month = mar,
day = "5",
doi = "10.1016/j.jallcom.2013.11.138",
language = "English",
volume = "588",
pages = "633--637",
journal = "Journal of Alloys and Compounds",
issn = "0925-8388",
publisher = "Elsevier BV",
}