DOI: 10.1002/pssa.200460209. Trends in calculation of point and extended defects in wide‐gap solids: periodic models of aperiodic systems

Trends in calculation of point and extended defects in wide‐gap solids: periodic models of aperiodic systems

10.1002/pssa.200460209

Crossref journal-article

Wiley

physica status solidi (a) (311)

Abstract

AbstractThe periodic models of aperiodic systems are described. For the point defects supercell and cyclic cluster models are compared for the oxygen vacancy in the corundum Al2O3. The single and repeated slab models of (001) surface of MgO crystal are compared using the results of LCAO Hartree–Fock and DFT calculations. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

Bibliography

Evarestov, R. A. (2005). Trends in calculation of point and extended defects in wideâgap solids: periodic models of aperiodic systems. Physica Status Solidi (a), 202(2), 235â242. Portico.

Authors 1

R. A. Evarestov (first)

References 26 Referenced 9

V. T.Saunders R.Dovesi C.Roetti M.Causa N. M.Harrison R.Orlando andC. M.Zicovich‐Wilson CRYSTAL98 Users Manual (University of Torino Torino 1998) CRYSTAL2003 Users Manual (University of Torino Torino 2003).
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{'key': 'e_1_2_1_8_2', 'first-page': '2637', 'volume': '14', 'author': 'Lento J.', 'year': '2002', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter by Lento J. (2002)
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{'key': 'e_1_2_1_19_2', 'first-page': '3023', 'volume': '9', 'author': 'Evarestov R. A.', 'year': '1997', 'journal-title': 'J. Phys. C'} / J. Phys. C by Evarestov R. A. (1997)
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10.1103/PhysRevB.13.5188
URL: http://www.crystal.unito.it.

Dates

Type	When
Created	20 years, 7 months ago (Jan. 13, 2005, 8:28 a.m.)
Deposited	1 year, 10 months ago (Oct. 31, 2023, 6:35 p.m.)
Indexed	1 year, 10 months ago (Oct. 31, 2023, 7:10 p.m.)
Issued	20 years, 8 months ago (Jan. 1, 2005)
Published	20 years, 8 months ago (Jan. 1, 2005)
Published Online	20 years, 7 months ago (Jan. 13, 2005)
Published Print	20 years, 8 months ago (Jan. 1, 2005)

Funders 0

None

BibTeX

@article{Evarestov_2005, title={Trends in calculation of point and extended defects in wide‐gap solids: periodic models of aperiodic systems}, volume={202}, ISSN={1862-6319}, url={http://dx.doi.org/10.1002/pssa.200460209}, DOI={10.1002/pssa.200460209}, number={2}, journal={physica status solidi (a)}, publisher={Wiley}, author={Evarestov, R. A.}, year={2005}, month=jan, pages={235–242} }

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