“…However, the enhancement of TE performance via manipulating point defects in polycrystals is hard to understand rather than in single crystals. Preparations of Bi 2 Te 3based single crystals are usually achieved by the Bridgman [33][34][35] and Zone Melting (ZM) [36][37][38] methods, which need to move or rotate the crystal growth device and supply an inert atmosphere.…”
This study prepared Bi2Te3 single crystals and investigated the thermoelectric properties of Bi2Te3 based on the electronic structure and formation energy of point defects which are calculated by density functional theory.
“…However, the enhancement of TE performance via manipulating point defects in polycrystals is hard to understand rather than in single crystals. Preparations of Bi 2 Te 3based single crystals are usually achieved by the Bridgman [33][34][35] and Zone Melting (ZM) [36][37][38] methods, which need to move or rotate the crystal growth device and supply an inert atmosphere.…”
This study prepared Bi2Te3 single crystals and investigated the thermoelectric properties of Bi2Te3 based on the electronic structure and formation energy of point defects which are calculated by density functional theory.
“…[5][6][7][8][9][10][11][12][13] A doping is one of obvious and promising ways to optimally combine the S, q and k values and enhance ZT of materials. [14][15][16] Recently, it was found that rare earth element (Lu, Ce, Sm, Er, La, etc.) doping can be used to enhance the thermoelectric performance of Bi 2 Te 3 .…”
thermoelectrics of n-type conductivity have been prepared by the microwave-solvothermal method and spark plasma sintering. These compounds behave as degenerate semiconductors from room temperature up to temperature T d % 470 K. Within this temperature range the temperature behavior of the specific electrical resistivity is due to the temperature changes of electron mobility determined by acoustic and optical phonon scattering. Above T d , an onset of intrinsic conductivity takes place when electrons and holes are present. At the Lu and Tm doping, the Seebeck coefficient increases, while the specific electrical resistivity and total thermal conductivity decrease within the temperature 290-630 K range. The increase of the electrical resistivity is related to the increase of electron concentration since the Tm and Lu atoms are donor centres in the Bi 2 Te 3 lattice. The increase of the density-of-state effective mass for conduction band can be responsible for the increase of the Seebeck coefficient. The decrease of the total thermal conductivity in doped Bi 2 Te 3 is attributed to point defects like the antisite defects and Lu or Tm atoms substituting for the Bi sites. In addition, reducing the electron thermal conductivity due to forming a narrow impurity (Lu or Tm) band having high and sharp density-ofstates near the Fermi level can effectively decrease the total thermal conductivity. The thermoelectric figure-of-merit is enhanced from $ 0.4 for undoped Bi 2 Te 3 up to $ 0.7 for Bi 1.
“…Для улучшения термоэлектрических характеристик соединений на основе Bi 2 Te 3 используются различные физические и технологические подходы [3][4][5][6][7][8][9][10]. Из этих подходов легирование является одним из перспективных и эффективных способов оптимизации термоэлектрических параметров (S, ρ, κ) [11][12][13][14][15][16].…”
The regularities of the influence of the sintering temperature (750, 780, 810, and 840 K) on the elemental composition, crystal-lattice parameters, electrical resistivity, Seebeck coefficient, total thermal conductivity, and thermoelectric figure of merit of the Bi_1.9Gd_0.1Te_3 compound are investigated. It is established that the elemental composition of the samples during high-temperature sintering varies due to intense tellurium evaporation, which can lead to the formation of various point defects (vacancies and antisite defects) affecting the majority carrier (electron) concentration and mobility. The sintering temperature greatly affects the electrical resistivity of the samples, while the influence on the Seebeck coefficient and total thermal conductivity is much weaker. The largest thermoelectric figure of merit ( ZT ≈ 0.55) is observed for the sample sintered at 750 K.
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