4.6 Article

Lattice dynamics and electron-phonon coupling in transition-metal diborides

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PHYSICAL REVIEW B
卷 67, 期 18, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.67.180510

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The phonon density of states of transition metal diborides TB2 with T=Ti, V, Ta, Nb, and Y has been measured using the technique of inelastic neutron scattering. The experimental data are compared with ab initio density-functional calculations whereby an excellent agreement is registered. The calculations thus can be used to obtain electron-phonon spectral functions within the isotropic limit. A comparison with similar data for MgB2 and AlB2, which were subject of prior publications as well as parameters important for the superconducting properties are part of the discussion.

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