Semiempirical model for calculating the lattice dynamics of the Jahn-Teller oxide La2CuO4 / Nikiforov AE,Shashkin SY // PHYSICS OF THE SOLID STATE. - 1997. - V. 39, l. 6. - P. 981-986.

ISSN/EISSN:

1063-7834 / нет данных

Type:

Article

Abstract:

Calculations of the properties of NiO, CaO, SrO, and La2NiO4 crystals are used as a basis for determining empirical pairwise potentials which are employed in calculating the structure, lattice dynamics, and certain properties of La2CuO4. The model developed here differs from those proposed before. First, the many-particle Jahn-Teller contributions to the energy and dynamic matrix of the crystal are taken into account. Second, the analytic expressions for the pairwise potentials contain an additional short-range electrostatic screening term. The results are in satisfactory agreement with experimental data. (C) 1997 American Institute of Physics.

Author keywords:

POTENTIALS; LA2NIO4; SHELL

DOI:

10.1134/1.1129769

Web of Science ID:

ISI:A1997XK98400031

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	JUN
Publisher	AMER INST PHYSICS
Address	CIRCULATION FULFILLMENT DIV, 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2999
Language	English
Keywords-Plus	POTENTIALS; LA2NIO4; SHELL
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
ResearcherID-Numbers	Nikiforov, Anatoliy/L-4436-2016
Number-of-Cited-References	23
Journal-ISO	Phys. Solid State
Doc-Delivery-Number	XK984