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- W2124759077 abstract "We used x-ray and neutron diffraction to determine the low-temperature structure of IrTe${}_{2}$. A structural modulation was observed with a wave vector of $mathbit{k}=(1/5,0,1/5)$ below ${T}_{s}ensuremath{approx}285$ K, accompanied by a structural transition from a trigonal to a triclinic lattice. We also performed first-principles calculations for high-temperature and low-temperature structures, which elucidate the nature of the phase transition and the low-temperature structure. A local bonding instability associated with the Te $5p$ states is likely the origin of the structural phase transition in IrTe${}_{2}$." @default.
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- W2124759077 date "2013-09-12" @default.
- W2124759077 modified "2023-10-16" @default.
- W2124759077 title "Origin of the phase transition in IrTe<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>: Structural modulation and local bonding instability" @default.
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- W2124759077 doi "https://doi.org/10.1103/physrevb.88.115122" @default.
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