Features of the Conduction-Band Electronic Structure of Manganese Sulfide Solid Solutions Doped with Lanthanides | Sciact - CRIS-system of Boreskov Institute of Catalysis

Features of the Conduction-Band Electronic Structure of Manganese Sulfide Solid Solutions Doped with Lanthanides Full article

Journal

Journal of Surface Investigation: X-Ray, Synchrotron and Neutron Techniques
ISSN: 1027-4510 , E-ISSN: 1819-7094

Output data

Year: 2023, Volume: 17, Number: 6, Pages: 1514-1519 Pages count : 6 DOI: 10.1134/s1027451023060460

Tags

manganese sulfide, lanthanides, finite-difference method, density of states, X-ray absorption; near-edge structure, density-functional theory

Authors

Syrokvashin M.M. ¹ , Korotaev E.V. ¹ , Nikolenko A.D. ^2,3 , Kriventsov V.V. ⁴

Affiliations

1	Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, 630090 Russia
2	Budker Institute of Nuclear Physics, Siberian Branch, Russian Academy of Sciences, Novosibirsk, 630090 Russia
3	Center for Collective Use “Siberian Ring Photon Source” (SKIF), Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Koltsovo, 630559 Russia
4	Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Novosibirsk, 630090 Russia

Funding (2)

1	Ministry of Science and Higher Education of the Russian Federation	ГЗ-2021-2023
2	Ministry of Science and Higher Education of the Russian Federation	FWUZ-2021-0005 (121031700313-8)

Studying the X-ray absorption near-edge structure shows that cation substitution of a MnS matrix with lanthanide atoms does not significantly affect the character of the local environment of metal (manganese, dysprosium, thulium and ytterbium) and sulfur atoms in lanthanide-doped Ln0.05Mn0.95S (Ln = Dy, Tm, Yb) solid solutions. Comparison of the experimental and theoretical data obtained by the finite-difference method has revealed that the main contributions of the unoccupied p- and d-states of manganese and p-states of sulfur are localized at the conduction-band bottom, both in the case of the initial MnS matrix and in the case of lanthanide-substituted Ln0.05Mn0.95S solid solutions. The main contributions of unoccupied f-states of ytterbium and thulium in Ln0.05Mn0.95S (Ln = Tm, Yb) solid solutions are shifted to the highenergy region of the conduction band, while the f-states of dysprosium in dysprosium-doped Dy0.05Mn0.95S solid solutions are localized near the conduction-band bottom. According to the calculated model spectra, it is found that the contributions of the free lanthanide d-states in Ln0.05Mn0.95S (Ln = Dy, Tm, Yb) solid solutions are shifted to the region of the conduction-band bottom with an increase of the atomic number of the lanthanide atom.

Syrokvashin M.M. , Korotaev E.V. , Nikolenko A.D. , Kriventsov V.V.
Features of the Conduction-Band Electronic Structure of Manganese Sulfide Solid Solutions Doped with Lanthanides
Journal of Surface Investigation: X-Ray, Synchrotron and Neutron Techniques. 2023. V.17. N6. P.1514-1519. DOI: 10.1134/s1027451023060460 WOS Scopus РИНЦ AN OpenAlex publication_identifier_short.sciact_skif_identifier_type

Submitted:	Apr 7, 2023
Accepted:	Jun 24, 2023
Published print:	Dec 8, 2023
Published online:	Dec 8, 2023

Web of science:	WOS:001156272100008
Scopus:	2-s2.0-85178880450
Elibrary:	56105692
Chemical Abstracts:	2023:2574169
OpenAlex:	W4389488438
publication_identifier.sciact_skif_identifier_type:	2799

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