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Numerical study of resistivity of model disordered three-dimensional metals

Yulia Gilman·Jamil Tahir-Kheli·Philip B. Allen·William A. Goddard
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Abstract

We calculate the zero-temperature resistivity of model 3-dimensional disordered metals described by tight-binding Hamiltonians. Two different mechanisms of disorder are considered: diagonal and off-diagonal. The non-equilibrium Green function formalism provides a Landauer-type formula for the conductance of arbitrary mesoscopic systems. We use this formula to calculate the resistance of finite-size disordered samples of different lengths. The resistance averaged over disorder configurations is linear in sample length and resistivity is found from the coefficient of proportionality. Two structures are considered: (1) a simple cubic lattice with one s-orbital per site, (2) a simple cubic lattice with two d-orbitals. For small values of the disorder strength, our results agree with those obtained from the Boltzmann equation. Large off-diagonal disorder causes the resistivity to saturate, whereas increasing diagonal disorder causes the resistivity to increase faster than the Boltzmann result. The crossover toward localization starts when the Boltzmann mean free path relative to the lattice constant has a value between 0.5 and 2.0 and is strongly model dependent.

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Yulia Gilman, Jamil Tahir-Kheli, Philip B. Allen, William A. Goddard. 2004-07-30. Numerical study of resistivity of model disordered three-dimensional metals. https://doi.org/10.1103/physrevb.70.224201

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