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- W2965389660 abstract "We used X-ray/neutron diffraction to determine the low temperature (LT) structure of IrTe2. A structural modulation was observed with a wavevector of k =(1/5, 0, 1/5) below Ts?285 K, accompanied by a structural transition from a trigonal to a triclinic lattice. We also performed the first principles calculations for high temperature (HT) and LT structures, which elucidate the nature of the phase transition and the LT structure. A local bonding instability associated with the Te 5p states is likely the origin of the structural phase transition in IrTe2." @default.
- W2965389660 created "2019-08-13" @default.
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- W2965389660 date "2013-02-21" @default.
- W2965389660 modified "2023-09-27" @default.
- W2965389660 title "Origin of structural transition in IrTe_2 studied by single crystal neutron and X-ray diffraction" @default.
- W2965389660 hasPublicationYear "2013" @default.
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