First-principles calculations and experimental studies of: XYZ 2 thermoelectric compounds: Detailed analysis of van der Waals interactions

Jan Hendrik Pöhls, Zhe Luo, Umut Aydemir, Jon Paul Sun, Shiqiang Hao, Jiangang He, Ian G. Hill, Geoffroy Hautier, Anubhav Jain, Xiaoqin Zeng, Chris Wolverton, G. Jeffrey Snyder, Hong Zhu, Mary Anne White

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Material Science