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  1. Research Outputs

Perturbative valence charge density of trigonal Se and Te

Academic Article
Publication Date:
1975
Short description:
Perturbative valence charge density of trigonal Se and Te / Bertoni, Carlo Maria; Bisi, Olmes; Calandra Buonaura, Carlo; F., Nizzoli. - In: PHYSICA STATUS SOLIDI B-BASIC RESEARCH. - ISSN 0370-1972. - STAMPA. - 71:(1975), pp. 651-663. [10.1002/pssb.2220710227]
abstract:
The electron valence charge density in Se and Te is calculated using perturbation theory to second order in an average form factor which accounts for the lion-locality of the pseudo-potential. The convergence of the perturbative expansion is tested and discussed, and a comparison is made with previous calculations derived from band structures. The importance of the second order term is related to the covalence of the chemical bond, lattice dynamics, and bonding charge models.
Iris type:
Articolo su rivista
Keywords:
Selenium; Tellurium; electron valence charge density; perturbation theory
List of contributors:
Bertoni, Carlo Maria; Bisi, Olmes; Calandra Buonaura, Carlo; F., Nizzoli
Authors of the University:
BERTONI Carlo Maria
CALANDRA BUONAURA Carlo
Handle:
https://iris.unimore.it/handle/11380/449318
Published in:
PHYSICA STATUS SOLIDI B-BASIC RESEARCH
Journal
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