Quantum master equation scheme of time-dependent density functional theory to time-dependent transport in nanoelectronic devices

CORC > 半导体研究所 > 中国科学院半导体研究所 > 中国科学院半导体研究所（2009年前）

	Quantum master equation scheme of time-dependent density functional theory to time-dependent transport in nanoelectronic devices
	Li, XQ (Li, Xin-Qi) ; Yan, YJ (Yan, YiJing)
刊名	physical review b
	2007
卷号	75 期号:7 页码:art.no.075114
关键词	RESONANT-TUNNELING SYSTEMS
ISSN号	issn: 1098-0121
通讯作者	li, xq, chinese acad sci, inst semicond, state key lab superlattices & microstruct, pob 912, beijing 100083, peoples r china. 电子邮箱地址: xqli@red.semi.ac.cn ; yan@ust.hk
中文摘要	in this work a practical scheme is developed for the first-principles study of time-dependent quantum transport. the basic idea is to combine the transport master equation with the well-known time-dependent density functional theory. the key ingredients of this paper include (i) the partitioning-free initial condition and the consideration of the time-dependent bias voltages which base our treatment on the runge-gross existence theorem; (ii) the non-markovian master equation for the reduced (many-body) central system (i.e., the device); and (iii) the construction of kohn-sham master equations for the reduced single-particle density matrix, where a number of auxiliary functions are introduced and their equations of motion (eoms) are established based on the technique of spectral decomposition. as a result, starting with a well-defined initial state, the time-dependent transport current can be calculated simultaneously along with the propagation of the kohn-sham master equation and the eoms of the auxiliary functions.
学科主题	半导体物理
收录类别	SCI
语种	英语
公开日期	2010-03-29
内容类型	期刊论文
源URL	[http://ir.semi.ac.cn/handle/172111/9592]
专题	半导体研究所_中国科学院半导体研究所（2009年前）
推荐引用方式 GB/T 7714	Li, XQ ,Yan, YJ . Quantum master equation scheme of time-dependent density functional theory to time-dependent transport in nanoelectronic devices[J]. physical review b,2007,75(7):art.no.075114.
APA	Li, XQ ,&Yan, YJ .(2007).Quantum master equation scheme of time-dependent density functional theory to time-dependent transport in nanoelectronic devices.physical review b,75(7),art.no.075114.
MLA	Li, XQ ,et al."Quantum master equation scheme of time-dependent density functional theory to time-dependent transport in nanoelectronic devices".physical review b 75.7(2007):art.no.075114.