Theoretical investigation of the electronic structure and elastic characteristics of diamond

V. A. Veryazov; A. M. Dobrotvorskiǐ; A. V. Leko; R. A. Évarestov

Theoretical investigation of the electronic structure and elastic characteristics of diamond

V. A. Veryazov, A. M. Dobrotvorskiǐ, A. V. Leko, R. A. Évarestov

Saint Petersburg State University

Forskningsoutput: Tidskriftsbidrag › Artikel i vetenskaplig tidskrift › Peer review

Sammanfattning

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.

Originalspråk	engelska
Sidor (från-till)	265-271
Antal sidor	7
Tidskrift	Physics of the Solid State
Volym	38
Nummer	2
Status	Published - 1996 feb.
Externt publicerad	Ja

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title = "Theoretical investigation of the electronic structure and elastic characteristics of diamond",

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.",

author = "Veryazov, {V. A.} and Dobrotvorskiǐ, {A. M.} and Leko, {A. V.} and {\'E}varestov, {R. A.}",

year = "1996",

month = feb,

language = "English",

volume = "38",

pages = "265--271",

journal = "Physics of the Solid State",

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AU - Veryazov, V. A.

AU - Dobrotvorskiǐ, A. M.

AU - Leko, A. V.

AU - Évarestov, R. A.

PY - 1996/2

Y1 - 1996/2

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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.

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M3 - Article

AN - SCOPUS:0030533540

SN - 1063-7834

VL - 38

SP - 265

EP - 271

JO - Physics of the Solid State

JF - Physics of the Solid State

IS - 2

ER -

Theoretical investigation of the electronic structure and elastic characteristics of diamond

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