An ab initio embedded-cluster approach to electronic structure calculations on crystalline solids, within the framework of the linear combination of atomic orbitals method, is presented. The solid is modelled as a central cluster embedded in the field created by its environment (rest of the infinite
β¦ LIBER β¦
An approach based on the free-electron theory to calculate electron conductance of perfect metallic nanowires
β Scribed by M.A. Grado-Caffaro; M. Grado-Caffaro
- Book ID
- 104093643
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 597 KB
- Volume
- 149
- Category
- Article
- ISSN
- 0038-1098
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β¦ Synopsis
For the first time, the quantum free-electron theory is utilized for determining the quantized electrical conductance in a perfect metallic multi-atom nanowire. In this formulation, both spin-up and spindown conduction electrons are considered so that our final result comes from a series combination of the contributions to the conductance from the two possible types of spin-oriented electron, assuming a symmetric distribution of the involved counter-ions. In addition, several aspects related to the atom-lead coupling are discussed.
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