We present several extensions to the Boltzmann Transport Equation (BTE) solver implemented in QuantumATK. This enables computational efﬁcient simulations of ﬁrst-principles transport coefﬁcients in linear response to an applied electric ﬁeld, magnetic ﬁeld or temperature gradient. We calculate the phonon-limited resistivity in three FCC metals (Gold, Silver and Copper) with the calculation of scattering rates from the electron phonon interaction from ﬁrst-principles. We correctly ﬁnd that Gold has the highest resistivity while the resistivity of Copper is only slightly larger than that of Silver. In addition, we ﬁnd that the resistivity of a 1nm diameter Au nanowire is more than doubled as compared to that of bulk Au due to the increased electron-phonon coupling in nanowires. The simulations illustrate the predictive capabilities of the implemented Boltzmann Transport Equation (BTE) solver.
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