Abstract
In first-principles theory of nonequilibrium quantum transport, there are two main formalisms\char22{}the nonequilibrium Green's function (NEGF) and the Lippmann-Schwinger (LS) equation, which have been applied to a wide range of device physics problems when coupled with electronic structure methods such as the density-functional theory. In this work, we derive a relationship that formally connects the two formalisms at nonequilibrium. The relation is between the nonequilibrium scattering wave function and NEGF and it cannot be derived directly from the LS equation itself. We also found that the relation is practically useful by giving rise to a significant speed up in numerical computation of transmission coefficients for multiprobe systems.
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.
