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Electronic, dielectric properties and charge transfer in a TlGaS₂ : Nd³⁺ single crystal at direct and alternating current

Russian version

DOI: 10.21883/PSS.2022.04.53497.251

Mustafaeva S.N.^1,2,3, Asadov M.M.^1,2,3, Guseinova S.S.^1,2,3, Dzhabarov A.I.^1,2,3, Lukichev V.F.^1,2,3

¹Institute of Physics, National Academy of Sciences of Azerbaijan, Baku, Azerbaijan
²Nagiev Institute of Catalysis and Inorganic Chemistry of Azerbaijan National Academy of Sciences, Baku, Azerbaijan
³Valiev Institute of Physics and Technology of RAS, Moscow, Russia

Email: solmust@gmail.com

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Abstract
References
Статистика просмотров

The band structure, density of states, and electronic properties of a 32-atomic supercell of a semiconductor compound TlGaS₂ containing neodymium are calculated. On the grown new single crystals of TlGaS₂ : Nd³⁺ (0.3 mol% Nd₂S₃), experimental results on the physical properties have been obtained. The temperature (93-538 K) and frequency (5·10⁴-3.5·10⁷ Hz) dependences of the dc and ac conductivity and the frequency dispersion of the dielectric coefficients of TlGaS₂ : Nd³⁺ single crystals have been studied. It was found that in TlGaS₂ : Nd³⁺, in the entire studied frequency range, there are losses due to electrical conductivity, and the charge transfer has a hopping character. The parameters of localized states are estimated, such as the density of localized states near the Fermi level and their spread, the average hopping time and distance, and the concentration of deep traps responsible for the dc and ac conductivity in TlGaS₂ : Nd³⁺. Keywords: DFT calculation, TlGaS₂ supercell, neodymium doping, energy structure, density of states, dielectric properties, charge transfer, TlGaS₂ : Nd³⁺ single crystal, direct and alternating current.

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