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Nonempirical cluster calculations of the electric field gradient tensor in yttrium-aluminum garnet Y3Al5O12. / Kasperovich, V. S.; Sodel', N. E.; Shelyapina, M. G.

In: Physics of the Solid State, Vol. 48, No. 9, 09.2006, p. 1684-1688.

Research output: Contribution to journal › Article › peer-review

Harvard

Kasperovich, VS, Sodel', NE & Shelyapina, MG 2006, 'Nonempirical cluster calculations of the electric field gradient tensor in yttrium-aluminum garnet Y3Al5O12', Physics of the Solid State, vol. 48, no. 9, pp. 1684-1688. https://doi.org/10.1134/S1063783406090101

APA

Kasperovich, V. S., Sodel', N. E., & Shelyapina, M. G. (2006). Nonempirical cluster calculations of the electric field gradient tensor in yttrium-aluminum garnet Y3Al5O12. Physics of the Solid State, 48(9), 1684-1688. https://doi.org/10.1134/S1063783406090101

Vancouver

Kasperovich VS, Sodel' NE, Shelyapina MG. Nonempirical cluster calculations of the electric field gradient tensor in yttrium-aluminum garnet Y3Al5O12. Physics of the Solid State. 2006 Sep;48(9):1684-1688. https://doi.org/10.1134/S1063783406090101

Author

Kasperovich, V. S. ; Sodel', N. E. ; Shelyapina, M. G. / Nonempirical cluster calculations of the electric field gradient tensor in yttrium-aluminum garnet Y3Al5O12. In: Physics of the Solid State. 2006 ; Vol. 48, No. 9. pp. 1684-1688.

BibTeX

@article{860076aa39634cfa81f92475bff3d4a2,
title = "Nonempirical cluster calculations of the electric field gradient tensor in yttrium-aluminum garnet Y3Al5O12",
abstract = "The electric field gradient (EFG) tensor at the aluminum nucleus sites in yttrium-aluminum garnet Y3Al5O12 is calculated using the Hartree-Fock method and the nonempirical cluster approach. It is shown that the EFG tensor at the Altetr sites is described well taking into account the nearest neighbors (an [AlO4]-5 cluster), whereas for the Aloct sites the effect of more distant ions is important. The results are compared with the available experimental data and the results of band calculations.",
author = "Kasperovich, {V. S.} and Sodel', {N. E.} and Shelyapina, {M. G.}",
year = "2006",
month = sep,
doi = "10.1134/S1063783406090101",
language = "English",
volume = "48",
pages = "1684--1688",
journal = "Physics of the Solid State",
issn = "1063-7834",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "9",

}

RIS

TY - JOUR

T1 - Nonempirical cluster calculations of the electric field gradient tensor in yttrium-aluminum garnet Y3Al5O12

AU - Kasperovich, V. S.

AU - Sodel', N. E.

AU - Shelyapina, M. G.

PY - 2006/9

Y1 - 2006/9

N2 - The electric field gradient (EFG) tensor at the aluminum nucleus sites in yttrium-aluminum garnet Y3Al5O12 is calculated using the Hartree-Fock method and the nonempirical cluster approach. It is shown that the EFG tensor at the Altetr sites is described well taking into account the nearest neighbors (an [AlO4]-5 cluster), whereas for the Aloct sites the effect of more distant ions is important. The results are compared with the available experimental data and the results of band calculations.

AB - The electric field gradient (EFG) tensor at the aluminum nucleus sites in yttrium-aluminum garnet Y3Al5O12 is calculated using the Hartree-Fock method and the nonempirical cluster approach. It is shown that the EFG tensor at the Altetr sites is described well taking into account the nearest neighbors (an [AlO4]-5 cluster), whereas for the Aloct sites the effect of more distant ions is important. The results are compared with the available experimental data and the results of band calculations.

UR - http://www.scopus.com/inward/record.url?scp=33748808746&partnerID=8YFLogxK

U2 - 10.1134/S1063783406090101

DO - 10.1134/S1063783406090101

M3 - Article

AN - SCOPUS:33748808746

VL - 48

SP - 1684

EP - 1688

JO - Physics of the Solid State

JF - Physics of the Solid State

SN - 1063-7834

IS - 9

ER -

ID: 16796878