Research output: Contribution to journal › Article › peer-review
Theoretical investigation of the electronic structure and elastic characteristics of diamond. / Veryazov, V. A.; Dobrotvorskiǐ, A. M.; Leko, A. V.; Évarestov, R. A.
In: Physics of the Solid State, Vol. 38, No. 2, 02.1996, p. 265-271.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Theoretical investigation of the electronic structure and elastic characteristics of diamond
AU - Veryazov, V. A.
AU - Dobrotvorskiǐ, A. M.
AU - Leko, A. V.
AU - Évarestov, R. A.
PY - 1996/2
Y1 - 1996/2
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0030533540&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0030533540
VL - 38
SP - 265
EP - 271
JO - Physics of the Solid State
JF - Physics of the Solid State
SN - 1063-7834
IS - 2
ER -
ID: 84357964