Published May 31, 2006
| Version v1
Journal article
Using the quantized mean-field method to model Joule heating in a short nano-conductor
Creators
- 1. Helsinki University of Technology, Department of Electrical and Communications Engineering, Laboratory of Computational Engineering, Tekniikantie 14, Espoo (Finland)
- 2. Imperial College, Department of Physics, Exhibition Road, London SW7 2AZ (United Kingdom)
Description
The quantized mean-field method (QMF) is an extension of the traditional mean-field method for simulating quantum mechanical systems with electrons and ions. It adds the quantum nature of the ions to the simulations. Here we transform the QMF equations from wave function form to density operator form, study the connection between QMF and the recent correlated electron-ion dynamics (CEID) method, and show that QMF is a special case of CEID. Our simulations show that QMF fails to produce correct Joule heating in a nano-conductor. This is due to the mean-field approximation for the electrons. However, quantum properties of the ions, such as zero point energy, are conserved
Additional details
Identifiers
- DOI
- 10.1016/j.chemphys.2005.12.003;
- PII
- S0301-0104(05)00650-6;
Publishing Information
- Journal Title
- Chemical Physics
- Journal Volume
- 324
- Journal Issue
- 2-3
- Journal Page Range
- p. 659-666
- ISSN
- 0301-0104
- CODEN
- CMPHC2
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 39096624
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- APPROXIMATIONS; ELECTRON CORRELATION; ELECTRON-PHONON COUPLING; ELECTRONS; EQUATIONS; IONS; JOULE HEATING; MEAN-FIELD THEORY; QUANTUM MECHANICS; SIMULATION; WAVE FUNCTIONS
- Descriptors DEC
- CALCULATION METHODS; CHARGED PARTICLES; CORRELATIONS; COUPLING; ELECTRIC HEATING; ELEMENTARY PARTICLES; FERMIONS; FUNCTIONS; HEATING; LEPTONS; MECHANICS; PLASMA HEATING
Optional Information
- Copyright
- Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.