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- W4360754426 abstract "We compute the anharmonic shift of the phonon frequencies in MgB2, using density functional theory. We explicitly take into account the scattering between different phonon modes at different q-points in the Brillouin zone. The shift of the E2g mode at the Gamma point is +5 % of the harmonic frequency. This result comes from the cancellation between the contributions of the four- and three-phonon scattering, respectively +10 % and -5 %. A similar shift is predicted at the A point, in agreement with inelastic X-ray scattering phonon-dispersion measurements. A smaller shift is observed at the M point." @default.
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- W4360754426 date "2003-12-31" @default.
- W4360754426 modified "2023-10-17" @default.
- W4360754426 title "Anharmonic phonon frequency shift in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>MgB</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>" @default.
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- W4360754426 doi "https://doi.org/10.1103/physrevb.68.220509" @default.
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