文章基本信息

标题：Phonon dispersions and Fermi surfaces nesting explaining the variety of charge ordering in titanium-oxypnictides superconductors
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作者：Kousuke Nakano ; Kenta Hongo ; Ryo Maezono 等
期刊名称：Scientific Reports
电子版ISSN：2045-2322
出版年度：2016
卷号：6
期号：1
DOI：10.1038/srep29661
语种：English
出版社：Springer Nature
摘要：There has been a puzzle between experiments and theoretical predictions on the charge ordering of layered titanium-oxypnictides superconductors. Unconventional mechanisms to explain this discrepancy have been argued so far, even affecting the understanding of superconductivity on the compound. We provide a new theoretical prediction, by which the discrepancy itself is resolved without any complicated unconventional explanation. Phonon dispersions and changes of nesting vectors in Fermi surfaces are clarified to lead to the variety of superlattice structures even for the common crystal structures when without CDW, including orthorhombic 2 × 2 × 1 one for BaTi2As2O, which has not yet been explained successfully so far, being different from tetragonal for BaTi2Sb2O and BaTi2Bi2O. The electronic structure analysis can naturally explain experimental observations about CDW including most latest ones without any cramped unconventional mechanisms.