Ab initio semi-classical electronic transport in ZnSe: the role of inelastic scattering mechanisms. (6th June 2019)

• Record Type: Journal Article
• Authors: Mandia, Anup Kumar; Patnaik, Renuka; Muralidharan, Bhaskaran; Lee, Seung-Cheol; Bhattacharjee, Satadeep
• Is Part Of: Journal of physics. Volume 31:Number 34(2019)
• Publication Date: 2019-06-06
• Subjects: rode iterative method -- relaxation time approximation -- mobility -- Boltzmann transport; Condensed matter -- Periodicals; Matière condensée -- Périodiques; Vaste stoffen; Vloeistoffen; Natuurkunde; Electronic journals; Computer network resources; 530.4105
• DOI: 10.1088/1361-648X/ab229b
• Languages: English
• ISSNs: 0953-8984

Abstract

Abstract: We present a detailed ab initio study of semi-classical transport in n-ZnSe using Rode's iterative method. Inclusion of ionized impurity, piezoelectric, acoustic deformation and polar optical phonon scattering and their relative importance at low and room temperature for various n-ZnSe samples are discussed in depth. We have clearly noted that inelastic polar optical phonon scattering is the most dominant scattering mechanism over most of the temperature region. Our results are in good agreement with the experimental data for the mobility and conductivity obtained at different doping concentrations over a wider range of temperatures. Also we compare these results with the ones obtained with relaxation time approximation (RTA) which clearly demonstrate the superiority of the iterative method over RTA.