Abstract
We describe an implementation of an ab initio method for calculating the electronic structure for systems under finite bias voltage. Our method is based on density functional theory as implemented in the (screened) Korringa-Kohn-Rostoker Green's function method for open systems with two-dimensional translation invariance using the atomic sphere and the full-charge-density approximation. We test our method for metallic lithium separated by vacuum.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
