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Time-dependent quantum transport: An exact formulation based on TDDFT

Stefanucci, Gianluca LU and Almbladh, Carl-Olof LU (2004) In Europhysics Letters 67(1). p.14-20
Abstract
An exact theoretical framework based on Time Dependent Density Functional Theory (TDDFT) is proposed in order to deal with the time-dependent quantum transport in fully interacting systems. We use a partition-free approach by Cini in which the whole system is in equilibrium before an external electric field is switched on. Our theory includes the interactions between the leads and between the leads and the device. It is well suited for calculating measurable transient phenomena as well as a.c. and other time-dependent responses. We show that the steady-state current results from a dephasing mechanism provided the leads are macroscopic and the device is finite. In the d.c. case, we obtain a Landauer-like formula when the effective potential... (More)
An exact theoretical framework based on Time Dependent Density Functional Theory (TDDFT) is proposed in order to deal with the time-dependent quantum transport in fully interacting systems. We use a partition-free approach by Cini in which the whole system is in equilibrium before an external electric field is switched on. Our theory includes the interactions between the leads and between the leads and the device. It is well suited for calculating measurable transient phenomena as well as a.c. and other time-dependent responses. We show that the steady-state current results from a dephasing mechanism provided the leads are macroscopic and the device is finite. In the d.c. case, we obtain a Landauer-like formula when the effective potential of TDDFT is uniform deep inside the electrodes. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Europhysics Letters
volume
67
issue
1
pages
14 - 20
publisher
EDP Sciences
external identifiers
  • wos:000223424900003
  • scopus:3042856179
ISSN
0295-5075
DOI
10.1209/epl/i2004-10043-7
language
English
LU publication?
yes
id
047afd61-f99f-4717-bace-5d5a89196a48 (old id 269592)
date added to LUP
2007-11-02 09:15:47
date last changed
2017-10-29 03:32:43
@article{047afd61-f99f-4717-bace-5d5a89196a48,
  abstract     = {An exact theoretical framework based on Time Dependent Density Functional Theory (TDDFT) is proposed in order to deal with the time-dependent quantum transport in fully interacting systems. We use a partition-free approach by Cini in which the whole system is in equilibrium before an external electric field is switched on. Our theory includes the interactions between the leads and between the leads and the device. It is well suited for calculating measurable transient phenomena as well as a.c. and other time-dependent responses. We show that the steady-state current results from a dephasing mechanism provided the leads are macroscopic and the device is finite. In the d.c. case, we obtain a Landauer-like formula when the effective potential of TDDFT is uniform deep inside the electrodes.},
  author       = {Stefanucci, Gianluca and Almbladh, Carl-Olof},
  issn         = {0295-5075},
  language     = {eng},
  number       = {1},
  pages        = {14--20},
  publisher    = {EDP Sciences},
  series       = {Europhysics Letters},
  title        = {Time-dependent quantum transport: An exact formulation based on TDDFT},
  url          = {http://dx.doi.org/10.1209/epl/i2004-10043-7},
  volume       = {67},
  year         = {2004},
}