Publication Date:
2017-04-05
Description:
Author(s): Kang Xia, Jian Sun, Chris J. Pickard, Dennis D. Klug, and Richard J. Needs Crystal structure prediction methods and first-principles calculations have been used to explore low-energy structures of carbon monoxide (CO). Contrary to the standard wisdom, the most stable structure of CO at ambient pressure was found to be a polymeric structure of P n a 2 1 symmetry rather than a m… [Phys. Rev. B 95, 144102] Published Tue Apr 04, 2017
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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