Electronic structures and optical properties of doped CuInTe<sub>2</sub> chalcopyrite materials: density functional calculations

Sukkabot, Worasak

doi:10.1080/14786435.2021.1954257

Cited by 2 publications

(2 citation statements)

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“…We are focused on chalcopyrite materials due to their wide applications in Lasers, LEDs, Photovoltaic cells, non-linear optical devices, nontoxicity etc. [1][2][3][4][5][6]. By making the combinations of the first, third and the sixth group elements, we got the direct band gap semiconductor material which is the fruitful output in photovoltaics.…”

Section: Introductionmentioning

confidence: 99%

“…Their observations ensure this compound is highly optical stable compound and this is the potential solid for manufacturing the various efficient thermoelectric devices. W. Sukkabot et al [2] have been investigated the electronic structure and optical parameters of CuInTe 2 chalcopyrite solid by using density functional theory. Their study confirms that this compound is good alternative for the solar cell applications.…”

Section: Introductionmentioning

confidence: 99%

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Structural, electronic and thermoelectric properties of LiAlX2 (X=S and Se) chalcopyrites: promising for thermoelectric power generators

Kumari¹,

Singh²,

Agrawal³

et al. 2023

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Herein, we have inquired the structural, electronic and thermoelectric properties of the couple of chalcopyrite structured solids LiAlX2 (X=S and Se) with the help of density functional theory (DFT), which is tracked by resolution of the Boltzmann transport equation with the constant relaxation time calculations. The LDA (Localized Density Approximation), PBE (Perdew-Burke-Ernzerhof), PBEsol (PBE functional revised for solids) and WC (Wu-Cohen) exchange correlation potentials have been used. The calculated lattice constants a = 5.271 Å; c = 10.178 Å and a = 6.226 Å; c = 12.165 Å for LiAlS2 and LiAlSe2 respectively and the band gap of the mentioned compounds are found in range from 1.74 eV to 3.13 eV. The dependency of thermoelectric parameters are calculated with different temperature (300-800K) and carrier concentration 1018 1019 cm-3 . From the study of ZT (figure of merit’s ZT= S2 σT/κ the dimensionless parameter) and it is found that it’s value for both the compounds in n-type as well as in p-type region is ‘unity’. Since these compounds can be the promising candidate for thermoelectric devices also these compounds are non-toxic, eco-friendly and good alternative for the green and renewable source of electric power generators.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Structural, electronic and thermoelectric properties of LiAlX2 (X=S and Se) chalcopyrites: promising for thermoelectric power generators

Kumari¹,

Singh²,

Agrawal³

et al. 2023

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Investigation of structural, optoelectronic and thermoelectric properties of GaCuX2 (X = S, Se and Te) chalcopyrites semiconductors using the accurate mBJ approach

Benaadad¹,

Nafidi²,

Melkoud³

et al. 2022

Physica B: Condensed Matter

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Electronic structures and optical properties of doped CuInTe₂ chalcopyrite materials: density functional calculations

Cited by 2 publications

References 33 publications

Structural, electronic and thermoelectric properties of LiAlX2 (X=S and Se) chalcopyrites: promising for thermoelectric power generators

Structural, electronic and thermoelectric properties of LiAlX2 (X=S and Se) chalcopyrites: promising for thermoelectric power generators

Investigation of structural, optoelectronic and thermoelectric properties of GaCuX2 (X = S, Se and Te) chalcopyrites semiconductors using the accurate mBJ approach

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Electronic structures and optical properties of doped CuInTe2 chalcopyrite materials: density functional calculations

Cited by 2 publications

References 33 publications

Structural, electronic and thermoelectric properties of LiAlX2 (X=S and Se) chalcopyrites: promising for thermoelectric power generators

Structural, electronic and thermoelectric properties of LiAlX2 (X=S and Se) chalcopyrites: promising for thermoelectric power generators

Investigation of structural, optoelectronic and thermoelectric properties of GaCuX2 (X = S, Se and Te) chalcopyrites semiconductors using the accurate mBJ approach

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Electronic structures and optical properties of doped CuInTe₂ chalcopyrite materials: density functional calculations