Publication Date:
2017-10-28
Description:
Author(s): Heejung Kim, J. H. Shim, Kyoo Kim, and B. I. Min To explore the origin of the phase transitions in Na 2 Ti 2 P 2 O ( P = Sb, As), we have investigated their band structures and phonon dispersions based on the a b i n i t i o density functional theory. We have found that the phonon softening instabilities occur for both compounds at q X and q M , which lead to char... [Phys. Rev. B 96, 155142] Published Fri Oct 27, 2017
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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