Theoretical investigation of the electronic structure and elastic characteristics of diamond
Veryazov, V. A. LU
; Dobrotvorskiǐ, A. M.
; Leko, A. V.
and Évarestov, R. A.
(1996)
In Physics of the Solid State
38(2).
p.265-271
- Abstract
A new scheme for calculating the electronic structure of crystals, based on the CNDO (complete neglect of differential overlap) approximation, is used to calculate the potential energy surfaces of diamond. Elastic properties such as the stiffness constants, the angular dependences of the anisotropy factor of Young's modulus, the Poisson ratios, and the Debye temperature are investigated on the basis of the calculated energy surfaces and are compared with experiment.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/74740a56-2c1d-4901-83b9-2c8c6946c9f9
- author
- Veryazov, V. A.
LU
; Dobrotvorskiǐ, A. M.
; Leko, A. V.
and Évarestov, R. A.
- publishing date
- 1996-02
- type
- Contribution to journal
- publication status
- published
- in
- Physics of the Solid State
- volume
- 38
- issue
- 2
- pages
- 7 pages
- publisher
- MAIK Nauka/Interperiodica
- external identifiers
-
- scopus:0030533540
- ISSN
- 1063-7834
- language
- English
- LU publication?
- no
- id
- 74740a56-2c1d-4901-83b9-2c8c6946c9f9
- date added to LUP
- 2019-05-22 14:32:07
- date last changed
- 2022-01-31 20:43:17
@article{74740a56-2c1d-4901-83b9-2c8c6946c9f9,
abstract = {{<p>A new scheme for calculating the electronic structure of crystals, based on the CNDO (complete neglect of differential overlap) approximation, is used to calculate the potential energy surfaces of diamond. Elastic properties such as the stiffness constants, the angular dependences of the anisotropy factor of Young's modulus, the Poisson ratios, and the Debye temperature are investigated on the basis of the calculated energy surfaces and are compared with experiment.</p>}},
author = {{Veryazov, V. A. and Dobrotvorskiǐ, A. M. and Leko, A. V. and Évarestov, R. A.}},
issn = {{1063-7834}},
language = {{eng}},
number = {{2}},
pages = {{265--271}},
publisher = {{MAIK Nauka/Interperiodica}},
series = {{Physics of the Solid State}},
title = {{Theoretical investigation of the electronic structure and elastic characteristics of diamond}},
volume = {{38}},
year = {{1996}},
}