Abstract The results of studies of the relationship between electronic properties and transport in multicomponent semiconductors (MS) are analyzed. The influence of the structural properties of the MS (crystal structure, band gap, density of states) on the mechanism of transport processes and the dielectric characteristics of the MS is analyzed. The essence of the quantum theory of frequency conductivity is considered taking into account the Kubo–Greenwood equation. The correlation between the values of the permittivity coefficients, the relationship of frequency conductivity with properties and the coefficients of dielectric properties are discussed using the example of 2D semiconductor samples TlGa1–xTmxS2. We have synthesized new semiconductor polycrystals of solid solutions of the compositions TlGa1–xTmxS2 (x = 0, 0.001, 0.005, 0.01 and 0.02) by direct alloying of the initial components in evacuated quartz ampoules. Single crystals of these samples were grown by the Bridgman–Stockbarger method. Using the X-ray phase analysis method, it was found that the TlGa1–xTmxS2 samples crystallize in the monoclinic syngony (space group C2/c). The lattice parameters of the samples were determined: for pure TlGaS2, the lattice parameters had the following values: a = 10.299 Å, b = 10.284 Å, c = 15.175 Å, β = 99.60°. The lattice parameters and band gap width of the TlGa1–xTmxS2 system were calculated using the DFT GGA PBE method and compared with experimental data. The dielectric properties and conductivity of TlGa1–xTmxS2 single crystals were studied in alternating electric fields (ac–conductivity) with a frequency of f = 5 × 104–3.5 × 107 Hz at room temperature. The relaxation nature of the permittivity, the nature of dielectric losses, and the hopping mechanism of charge transfer in these samples were established. The parameters of localized states in TlGa1–xTmxS2 were calculated within the Mott model for hopping conductivity. The following parameters were estimated: the density of states near the Fermi level and their energy spread, the average time and distance of hops, and the concentration of deep traps. It was shown that with an increase in the concentration of thulium impurities (x) in TlGa1–xTmxS2, the real and imaginary components of the complex permittivity, the tangent of the dielectric loss angle, and the as–conductivity of the samples increased significantly.

Electronic-Structural Relationship between Properties and Charge Transport in 2D Multicomponent Semiconductors

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发表日期：

2026年2月1日

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S. N. Mustafaeva,
S. M. Asadov,
S. S. Huseyinova,
V. F. Lukichev

摘要

Abstract

The results of studies of the relationship between electronic properties and transport in multicomponent semiconductors (MS) are analyzed. The influence of the structural properties of the MS (crystal structure, band gap, density of states) on the mechanism of transport processes and the dielectric characteristics of the MS is analyzed. The essence of the quantum theory of frequency conductivity is considered taking into account the Kubo–Greenwood equation. The correlation between the values of the permittivity coefficients, the relationship of frequency conductivity with properties and the coefficients of dielectric properties are discussed using the example of 2D semiconductor samples TlGa_1–xTm_xS₂. We have synthesized new semiconductor polycrystals of solid solutions of the compositions TlGa_1–xTm_xS₂ (x = 0, 0.001, 0.005, 0.01 and 0.02) by direct alloying of the initial components in evacuated quartz ampoules. Single crystals of these samples were grown by the Bridgman–Stockbarger method. Using the X-ray phase analysis method, it was found that the TlGa_1–xTm_xS₂ samples crystallize in the monoclinic syngony (space group C2/c). The lattice parameters of the samples were determined: for pure TlGaS₂, the lattice parameters had the following values: a = 10.299 Å, b = 10.284 Å, c = 15.175 Å, β = 99.60°. The lattice parameters and band gap width of the TlGa_1–xTm_xS₂ system were calculated using the DFT GGA PBE method and compared with experimental data. The dielectric properties and conductivity of TlGa_1–xTm_xS₂ single crystals were studied in alternating electric fields (ac–conductivity) with a frequency of f = 5 × 10⁴–3.5 × 10⁷ Hz at room temperature. The relaxation nature of the permittivity, the nature of dielectric losses, and the hopping mechanism of charge transfer in these samples were established. The parameters of localized states in TlGa_1–xTm_xS₂ were calculated within the Mott model for hopping conductivity. The following parameters were estimated: the density of states near the Fermi level and their energy spread, the average time and distance of hops, and the concentration of deep traps. It was shown that with an increase in the concentration of thulium impurities (x) in TlGa_1–xTm_xS₂, the real and imaginary components of the complex permittivity, the tangent of the dielectric loss angle, and the as–conductivity of the samples increased significantly.