Phonon limited electronic transport in Pb. (1st August 2017)

• Record Type: Journal Article
• Authors: Rittweger, F; Hinsche, N F; Mertig, I
• Is Part Of: Journal of physics. Volume 29:Number 35(2017)
• Publication Date: 2017-08-01
• Subjects: electron–phonon coupling -- thermoelectric transport -- ab initio calculation -- electronic transport; Condensed matter -- Periodicals; Matière condensée -- Périodiques; Vaste stoffen; Vloeistoffen; Natuurkunde; Electronic journals; Computer network resources; 530.4105
• DOI: 10.1088/1361-648X/aa7b56
• Languages: English
• ISSNs: 0953-8984

Abstract

Abstract: We present a fully ab initio based scheme to compute electronic transport properties, i.e. the electrical conductivity σ and thermopower S, in the presence of electron–phonon interaction. We explicitly investigate the k -dependent structure of the Éliashberg spectral function, the coupling strength, the linewidth and the relaxation time τ . We obtain a state-dependent τ and show its necessity to reproduce the increased thermopower for temperatures below the Debye temperature, without accounting for the phonon-drag effect. Despite the detailed investigations of various k - and q -dependencies, the presented scheme can be easily applied to more complicated systems.