Published May 28, 2012
| Version v1
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Simulations of the transport of electrons through molecular and atomic nanodevices
Creators
- 1. INPE, Faculty of Electrical Engineering and Information Technology, Slovak University of Technology, 81219 Bratislava (Slovakia)
Description
We have discussed the steps that involved in performing a simulation of transport properties of nanojunctions from the first principles. We have explained the construction of the model using a periodic box and described the utilization of the ground state DFT for finding the atomic geometry of the nanojunction and the following transmission calculations. The obtainable as well as potential problems related to the quality of the involved approximations were discussed. (authors)
Files
48042891.pdf
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Additional details
Identifiers
Publishing Information
- Publisher
- Slovak University of Technology
- Imprint Place
- Bratislava (Slovakia)
- ISBN
- 978-80-227-3720-3
- Imprint Title
- Proceedings of the 18th International Conference on Applied Physics of Condensed Matter
- Imprint Pagination
- 369 p.
- Journal Page Range
- p. 322-327
- Report number
- INIS-SK--2017-027
Conference
- Title
- 18. International Conference on Applied Physics of Condensed Matter
- Acronym
- APCOM 2012
- Dates
- 20-22 Jun 2012
- Place
- Strbske Pleso (Slovakia)
INIS
- Country of Publication
- Slovakia
- Country of Input or Organization
- Slovakia
- INIS RN
- 48042891
- Subject category
- S77: NANOSCIENCE AND NANOTECHNOLOGY;
- Resource subtype / Literary indicator
- Conference, Numerical Data
- Descriptors DEI
- ALUMINIUM; ALUMINIUM OXIDES; COMPUTERIZED SIMULATION; ELECTRON TRANSFER; EQUATIONS; EXPERIMENTAL DATA; NANOSTRUCTURES; QUANTUM MECHANICS; SEMICONDUCTOR JUNCTIONS; SEMICONDUCTOR MATERIALS; SOLID STATE PHYSICS
- Descriptors DEC
- ALUMINIUM COMPOUNDS; CHALCOGENIDES; DATA; ELEMENTS; INFORMATION; MATERIALS; MECHANICS; METALS; NUMERICAL DATA; OXIDES; OXYGEN COMPOUNDS; PHYSICS; SIMULATION
Optional Information
- Contract/Grant/Project number
- Grants VEGA-2/0192/10; Project ERDF OP and D meta-QUTE-26240120022
- Notes
- 5 figs., 17 refs. Imprint:Published also on CDROM 32 MBytes in PDF format