Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - The Electronic Structure and Optical Spectroscopy of ErNi2Mnx Compounds
AU - Knyazev, Yu.
AU - Lukoyanov, A.
AU - Kuz’min, Yu.
AU - Gerasimov, E.
AU - Mushnikov, N.
N1 - The studies were performed in terms of state assignment of the Ministry of Science and Higher Education of the Russian Federation (themes Electron, no. 122021000039-4 and Magnit, no. 122021000034-9) and Federal Program for Strategic Academic Leadership of Ural Federal University Priority 2030. Calculations of electronic structure were financially supported by the Russian Science Foundation (project no. 18-72-10098 https://rscf.ru/project/18-72-10098/ , Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences).
PY - 2023/5/1
Y1 - 2023/5/1
N2 - The electronic structure and optical properties of nonstoichiometric ErNi2Mnx compounds (with х = 0, 0.5, 1) have been studied. Spin-polarization calculations of the total and partial densities of electron states have been performed in terms of DFT + U method with a correction for strong electronic correlations in the 4f shell of Er in the approximation of ErNi2 – xMnx solid-solution. The peculiarities of transformations of the densities of electron states Have been determined depending on the manganese content. The optical properties of these compounds have been studied over a wide wave length range. The calculated interband optical conductivity spectra have been compared with the dependences obtained experimentally. The origin of the quantum absorption of light is discussed. The plasma and relaxation frequencies of current carriers have been determined.
AB - The electronic structure and optical properties of nonstoichiometric ErNi2Mnx compounds (with х = 0, 0.5, 1) have been studied. Spin-polarization calculations of the total and partial densities of electron states have been performed in terms of DFT + U method with a correction for strong electronic correlations in the 4f shell of Er in the approximation of ErNi2 – xMnx solid-solution. The peculiarities of transformations of the densities of electron states Have been determined depending on the manganese content. The optical properties of these compounds have been studied over a wide wave length range. The calculated interband optical conductivity spectra have been compared with the dependences obtained experimentally. The origin of the quantum absorption of light is discussed. The plasma and relaxation frequencies of current carriers have been determined.
UR - http://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=85169562765
UR - https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=tsmetrics&SrcApp=tsm_test&DestApp=WOS_CPL&DestLinkType=FullRecord&KeyUT=001058595900004
U2 - 10.1134/S0031918X23600513
DO - 10.1134/S0031918X23600513
M3 - Article
VL - 124
SP - 451
EP - 456
JO - Physics of Metals and Metallography
JF - Physics of Metals and Metallography
SN - 0031-918X
IS - 5
ER -
ID: 44660708