Structural characterization and optical absorption spectrum of Cu3In5Te9 ordered defect semiconducting compound

CuInTe2 chalcopyrite semiconductor and the ordered defect compounds of the Cu2Te–In2Te3 pseudo‐binary system have recently emerged as suitable candidates for thermoelectric applications. In this article, the crystal structure, optical, and electrical properties of Cu3In7Te12, a member of this ternary system, have been studied. It was established that this material crystallizes in a tetragonal structure with space group Ptrue4¯2c. The analysis of the optical absorption spectrum near the fundamental absorption edge shows that the energy gap is direct and the band gap varies from 1.030 to 0.952 eV between 10 and 300 K. From the analysis of electrical data, it was found that above 160 K, the electrical conduction is due to the activation of a shallow acceptor level of about 10 meV, and the value of the hole‐effective mass is mh = (1.18 ± 0.35) me. In the temperature range from 160 to 130 K, variable range hopping (VRH) mechanism of Mott‐type in the impurity band is observed. At high temperatures, the mobility is explained by taking into account the scattering mechanism of the charge carriers by donor–acceptor defect pairs, ionized and neutral impurities, acoustic and non‐polar optical phonons. In the low temperature region, the mobility data can be explained by an expression related to Mott law for VRH conductivity.

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“…, is observed. This confirms that Cu 3 In 7 Te 12 , like CuInTe 2 , CuIn 5 Te 8 , CuIn 3 Te 5 , and Cu 3 In 5 Te9 , has a direct band gap E G .…”

Section: Resultssupporting

confidence: 69%

Crystal structure, electrical, and optical properties of Cu₃In₇Te₁₂ ordered defect semiconducting compound

Guedez

Rincón

Wasim

et al. 2017

Physica Status Solidi (b)

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“…As observed in this Table, hexagonal, orthorhombic and tetragonal crystal systems have been reported for Cu 3 In 5 Te 9 . Recently, in an attempt to analyse its crystal structure, Guedez et al [14] have assigned to this compound the tetragonal space group I4. However, since incorrect ion distribution and occupancy factors were achieved in this analysis, the stoichiometric composition thus obtained, which is Cu 0.924 In 1.301 Te 9.545 , greatly disagrees with the nominal composition Cu 3 In 5 Te 9 .…”

Section: Introductionmentioning

confidence: 99%

On the crystal structure of the ordered vacancy compound Cu3In5Te9

2019

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The crystal structure of the ordered vacancy compound (OVC) Cu3In5Te9 was analyzed using powder X-ray diffraction data. Several structural models were derived from the structure of the Cu-poor Cu-In-Se compound b-Cu0.39In1.2Se2 by permuting the cations in the available site positions. The refinement of the best model by the Rietveld method in the tetragonal space group P2c (Nº 112), with unit cell parameters a = 6.1852(2) Å, c = 12.3633(9) Å, V = 472.98(4) Å3, led to Rp = 7.1 %, Rwp = 8.5 %, Rexp = 6.4 %, S = 1.3 for 162 independent reflections. This model has the following Wyckoff site atomic distribution: Cu1 in 2e (0,0,0); In1 in 2f (½,½,0), In2 in 2d (0,½,¼); Cu2-In3 in 2b (½,0,¼); in 2a (0,0,¼); Te in 8n (x,y,z).

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“…21 ) and Cu 3 In 5 Te 9 . 30 Besides, the Wyckoff positions, atomic coordinates and SOFs are presented in Table 2 . The SOF values indicate that the element Sb totally resides in the Cu 4b site with SOFs of 0.018 ( x = 0.05) and 0.034 ( x = 0.1) respectively, while Ga and Te atoms reside in 4a and 8d sites (SOFs = 1).…”

Section: Resultsmentioning

confidence: 99%

Increased effective mass and carrier concentration responsible for the improved thermoelectric performance of the nominal compound Cu₂Ga₄Te₇ with Sb substitution for Cu

2018

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Structural characterization and optical absorption spectrum of Cu3In5Te9 ordered defect semiconducting compound

Cited by 14 publications

References 13 publications

Crystal structure, electrical, and optical properties of Cu₃In₇Te₁₂ ordered defect semiconducting compound

Crystal structure, electrical, and optical properties of Cu₃In₇Te₁₂ ordered defect semiconducting compound

On the crystal structure of the ordered vacancy compound Cu3In5Te9

Increased effective mass and carrier concentration responsible for the improved thermoelectric performance of the nominal compound Cu₂Ga₄Te₇ with Sb substitution for Cu

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Structural characterization and optical absorption spectrum of Cu3In5Te9 ordered defect semiconducting compound

Cited by 14 publications

References 13 publications

Crystal structure, electrical, and optical properties of Cu3In7Te12 ordered defect semiconducting compound

Crystal structure, electrical, and optical properties of Cu3In7Te12 ordered defect semiconducting compound

On the crystal structure of the ordered vacancy compound Cu3In5Te9

Increased effective mass and carrier concentration responsible for the improved thermoelectric performance of the nominal compound Cu2Ga4Te7 with Sb substitution for Cu

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Crystal structure, electrical, and optical properties of Cu₃In₇Te₁₂ ordered defect semiconducting compound

Crystal structure, electrical, and optical properties of Cu₃In₇Te₁₂ ordered defect semiconducting compound

Increased effective mass and carrier concentration responsible for the improved thermoelectric performance of the nominal compound Cu₂Ga₄Te₇ with Sb substitution for Cu