One-center charge transfer transitions in manganites / Moskvin AS // PHYSICAL REVIEW B. - 2002. - V. 65, l. 20.

ISSN/EISSN:

1098-0121 / нет данных

Type:

Article

Abstract:

In the framework of a rather conventional cluster approach which combines the crystal field and the ligand field models we have considered different charge transfer (CT) states and O 2p-Mn 3d CT transitions in MnO69- octahedra. The many-electron dipole transition matrix elements were calculated using the Racah algebra for the cubic point group. Simple ``local{''} approximation allowed us to calculate the relative intensity for all dipole-allowed pi-pi and sigma-sigma CT transitions. We present a self-consistent description of the CT bands in insulating stoichiometric LaMn3+O3 compound with the only Mn3+ valent state and idealized octahedral MnO69- centers which allows us to substantially correct the current interpretation of the optical spectra. Our analysis shows the multiband structure of the CT optical response with the weak low-energy edge at 1.7 eV, associated with forbidden t(1g)(pi)-e(g) transition and a series of the weak and strong dipole-allowed high-energy transitions starting from 2.5 and 4.5 eV, respectively, and extending up to nearly 11 eV. The most intensive features are associated with two strong composite bands near 4.6-4.7 and 8-9 eV, respectively, resulting from the superposition of the dipole-allowed sigma-sigma and pi-pi CT transitions. These predictions are in good agreement with experimental spectra. The experimental data points to a strong overscreening of the crystal field parameter Dq in the CT states of MnO69- centers.

Author keywords:

ELECTRONIC-STRUCTURE; OPTICAL-CONDUCTIVITY; LA1-XSRXMNO3; SPECTRA; MNO

DOI:

10.1103/PhysRevB.65.205113

Web of Science ID:

ISI:000176066600034

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	MAY 15
Publisher	AMERICAN PHYSICAL SOC
Address	ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
Language	English
Article-Number	205113
Keywords-Plus	ELECTRONIC-STRUCTURE; OPTICAL-CONDUCTIVITY; LA1-XSRXMNO3; SPECTRA; MNO
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
Number-of-Cited-References	26
Usage-Count-Last-180-days	1
Usage-Count-Since-2013	2
Journal-ISO	Phys. Rev. B
Doc-Delivery-Number	560DJ