The Conduction Band of the Lanthanide Doped Chromium Disulfides CuCr0.99Ln0.01S2 (Ln=La, Ce, Gd): XANES Investigations | Sciact - CRIS-system of Boreskov Institute of Catalysis

The Conduction Band of the Lanthanide Doped Chromium Disulfides CuCr0.99Ln0.01S2 (Ln=La, Ce, Gd): XANES Investigations Full article

Conference

International Conference "Synchrotron and Free electron laser Radiation: generation and application"
13-17 Jul 2020 , Novosibirsk

Journal

AIP Conference Proceedings
ISSN: 0094-243X , E-ISSN: 1551-7616

Output data

Year: 2020, Volume: 2299, Number: 1, Article number : 080004, Pages count : 10 DOI: 10.1063/5.0030414

Authors

Korotaev E.V. ¹ , Syrokvashin M.M. ¹ , Filatova I.Yu. ¹ , Trubina S.V. ¹ , Nikolenko A.D. ² , Ivlyushkin D.V. ² , Zavertkin P.S. ² , Kriventsov V.V. ^2,3

Affiliations

1	Nikolaev Institute of Inorganic Chemistry SB RAS, 3 Acad. Lavrentiev Ave., 630090, Novosibirsk, Russia
2	Budker Institute of Nuclear Physics SB RAS, 11 Acad. Lavrentiev Ave., 630090, Novosibirsk, Russia
3	Boreskov Institute of Catalysis SB RAS, 5 Acad. Lavrentiev Ave., 630090, Novosibirsk, Russia

Funding (3)

1	Russian Science Foundation	19-73-10073
2	Russian Foundation for Basic Research	16-32-00612
3	Ministry of Science and Higher Education of the Russian Federation	05.621.21.0022 (RFMEFI62119X0022) (АААА-А20-120072290017-9)

The comprehensive experimental and theoretical study of the cation-substituted disulfides CuCr0.99Ln0.01S2 (Ln=La, Ce, Gd) XANES spectra was carried out. The cationic substitution with lanthanide atoms affect to the conduction band structure was studied using the finite difference method, DFT calculations of conduction band structure and the experimental spectra interpretation. The conduction band bottom of CuCrS2 is formed mainly with the contribution of the mixed copper s-, p- and d-states, chromium d-states and sulfur p-states. After the cationic substitution the unoccupied lanthanide f-states localize near the conduction band bottom area replacing the chromium d-states. The unoccupied copper, chromium and sulfur states distribution character is preserved after cationic substitution. In the case of solid solutions CuCr1-xLaxS2 the lanthanum f-states main contribution is shifted into the high energy area from the conduction band bottom. © 2020 American Institute of Physics Inc. All rights reserved.

Korotaev E.V. , Syrokvashin M.M. , Filatova I.Y. , Trubina S.V. , Nikolenko A.D. , Ivlyushkin D.V. , Zavertkin P.S. , Kriventsov V.V.
The Conduction Band of the Lanthanide Doped Chromium Disulfides CuCr0.99Ln0.01S2 (Ln=La, Ce, Gd): XANES Investigations

AIP Conference Proceedings. 2020. V.2299. N1. 080004 :1-10. DOI: 10.1063/5.0030414 Scopus РИНЦ AN OpenAlex

Full text from publisher

Published print:	Nov 17, 2020
Published online:	Nov 17, 2020

Scopus:	2-s2.0-85096473156
Elibrary:	45134091
Chemical Abstracts:	2021:1075011
OpenAlex:	W3100927592

DB	Citing
Scopus	8
Elibrary	4
OpenAlex	6