Optical properties and electronic structure of half-Heusler GdNiSb alloy: Experiment and first-principles calculations

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Optical properties and electronic structure of half-Heusler GdNiSb alloy: Experiment and first-principles calculations. / Knyazev, Yu.; Baidak, S.; Kuz’min, Yu. et al.
In: Optical and Quantum Electronics, Vol. 56, No. 4, 650, 10.02.2024.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{c77e01d1cc99404c8c170ef46772f828,

title = "Optical properties and electronic structure of half-Heusler GdNiSb alloy: Experiment and first-principles calculations",

abstract = "Studies of the electronic structure and optical properties of the GdNiSb half-Heusler alloy have been performed. Calculations of the total and partial densities of electronic states were carried out on the basis of the GGA + U method, taking into account the correction for strong interactions in the f-electron system of gadolinium ions. By the method of spectral ellipsometry in the range of 0.078-5.64 eV, the dielectric functions of the alloy are investigated, their dispersion features are revealed. The anomalous behavior of optical conductivity in the infrared region of the spectrum for metals was found, confirming the presence of an energy gap at the Fermi level in the electronic spectrum, predicted in the calculation. A comparative analysis of the experimental and theoretical frequency dependences of optical conductivity is carried out, the features of interband light absorption are identified. The plasma frequency of conduction electrons is determined.",

author = "Yu. Knyazev and S. Baidak and Yu. Kuz{\textquoteright}min and A. Lukoyanov",

note = "The research results presented in the Sect. 3. Results were obtained with the support of the Russian Science Foundation (project 22-42-02021). The results and analysis presented in the Sect. 4. Discussion were obtained within the state assignment of Ministry of Science and Higher Education of the Russian Federation (theme “Electron” No. 122021000039-4).",

year = "2024",

month = feb,

day = "10",

doi = "10.1007/s11082-023-06219-0",

language = "English",

volume = "56",

journal = "Optical and Quantum Electronics",

issn = "0306-8919",

publisher = "Kluwer Academic Publishers",

number = "4",

}

RIS

TY - JOUR

T1 - Optical properties and electronic structure of half-Heusler GdNiSb alloy: Experiment and first-principles calculations

AU - Knyazev, Yu.

AU - Baidak, S.

AU - Kuz’min, Yu.

AU - Lukoyanov, A.

N1 - The research results presented in the Sect. 3. Results were obtained with the support of the Russian Science Foundation (project 22-42-02021). The results and analysis presented in the Sect. 4. Discussion were obtained within the state assignment of Ministry of Science and Higher Education of the Russian Federation (theme “Electron” No. 122021000039-4).

PY - 2024/2/10

Y1 - 2024/2/10

N2 - Studies of the electronic structure and optical properties of the GdNiSb half-Heusler alloy have been performed. Calculations of the total and partial densities of electronic states were carried out on the basis of the GGA + U method, taking into account the correction for strong interactions in the f-electron system of gadolinium ions. By the method of spectral ellipsometry in the range of 0.078-5.64 eV, the dielectric functions of the alloy are investigated, their dispersion features are revealed. The anomalous behavior of optical conductivity in the infrared region of the spectrum for metals was found, confirming the presence of an energy gap at the Fermi level in the electronic spectrum, predicted in the calculation. A comparative analysis of the experimental and theoretical frequency dependences of optical conductivity is carried out, the features of interband light absorption are identified. The plasma frequency of conduction electrons is determined.

AB - Studies of the electronic structure and optical properties of the GdNiSb half-Heusler alloy have been performed. Calculations of the total and partial densities of electronic states were carried out on the basis of the GGA + U method, taking into account the correction for strong interactions in the f-electron system of gadolinium ions. By the method of spectral ellipsometry in the range of 0.078-5.64 eV, the dielectric functions of the alloy are investigated, their dispersion features are revealed. The anomalous behavior of optical conductivity in the infrared region of the spectrum for metals was found, confirming the presence of an energy gap at the Fermi level in the electronic spectrum, predicted in the calculation. A comparative analysis of the experimental and theoretical frequency dependences of optical conductivity is carried out, the features of interband light absorption are identified. The plasma frequency of conduction electrons is determined.

UR - https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=tsmetrics&SrcApp=tsm_test&DestApp=WOS_CPL&DestLinkType=FullRecord&KeyUT=001159511200001

UR - http://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=85187237844

U2 - 10.1007/s11082-023-06219-0

DO - 10.1007/s11082-023-06219-0

M3 - Article

VL - 56

JO - Optical and Quantum Electronics

JF - Optical and Quantum Electronics

SN - 0306-8919

IS - 4

M1 - 650

ER -

ID: 53012483