Title :
First-principles investigation of transient current of molecular devices by using complex absorbing potential
Author :
Lei Zhang ; Jian Chen ; Jian Wang
Author_Institution :
Dept. of Phys., Univ. of Hong Kong, Hong Kong, China
Abstract :
In this paper, we propose a linear scaling O(N) scheme to calculate the time dependent transient current by combining complex absorbing potential (CAP) method with exact solution based on NEGF and DFT theory (NEGF-DFT-CAP).
Keywords :
Green´s function methods; ab initio calculations; density functional theory; molecular electronics; transients; DFT theory; NEGF solution; complex absorbing potential method; density functional theory; first-principles investigation; linear scaling O(N) scheme; molecular devices; nonequilibrium Green´s function; time dependent transient current; Performance evaluation; Solids; Three-dimensional displays;
Conference_Titel :
Electron Devices and Solid-State Circuits (EDSSC), 2013 IEEE International Conference of
Conference_Location :
Hong Kong
DOI :
10.1109/EDSSC.2013.6628170
