Electronic structure of phosphorus and arsenic d-doped germanium

Density functional theory in the LDA+U approximation is used to calculate the electronic structure ofgermanium d doped with phosphorus and arsenic. We characterize the principal band minima of the twodimensional electron gas created by d doping and their dependence on the dopant concentration. Popul...

Full description

Bibliographic Details
Main Authors: Carter, Damien, Warschkow, O., Gale, Julian, Scappucci, G., Klesse, W., Capellini, G., Rohl, Andrew, Simmons, M., McKenzie, D., Marks, Nigel
Format: Journal Article
Published: American Physical Society 2013
Subjects:
Online Access:http://hdl.handle.net/20.500.11937/40678
Description
Summary:Density functional theory in the LDA+U approximation is used to calculate the electronic structure ofgermanium d doped with phosphorus and arsenic. We characterize the principal band minima of the twodimensional electron gas created by d doping and their dependence on the dopant concentration. Populated first at low concentrations is a set of band minima at the perpendicular projection of the bulk conduction band minima at L into the (kx ,ky ) plane. At higher concentrations, band minima at and become involved. Valley splittings and effective masses are computed using an explicit-atom approach, taking into account the effects of disorder in the arrangement of dopant atoms in the d plane.