Publication Date:
2016-06-22
Description:
Author(s): Xiaozhen Yan, Yangmei Chen, Shikai Xiang, Xiaoyu Kuang, Yan Bi, and Haiyan Chen We explore the reactivity of xenon with sulfur under high pressure, using unbiased structure searching techniques combined with first-principles calculations, which identify a stable XeS 2 compound crystallized in a Laves phase with hypercoordinated (16-fold) Xe at 191 GPa and 0 K. Taking the thermal… [Phys. Rev. B 93, 214112] Published Tue Jun 21, 2016
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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