Journal
PHYSICAL REVIEW LETTERS
Volume 113, Issue 2, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.113.025505
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- Polish National Science Center (NCN) [UMO-2012/06/M/ST5/00344, UMO-2011/01/M/ST3/00738]
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Most late transition metal (LTM) monoxides crystallize in other than a rock salt structure, which is so common in the earlier transition metal monoxides. Here we present theoretical evidence based on density functional theory that an electron-phonon coupling involving a single soft mode in the cubic cell is responsible for the onset of the experimentally observed structures of the late transition metal monoxides.
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