2011
DOI: 10.1103/physrevb.84.075203
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Thermoelectric properties ofp-type CuInSe2chalcopyrites enhanced by introduction of manganese

Abstract: Thermoelectric properties, X-ray photoelectron spectroscopy, Raman spectroscopy, and electronic structures have been studied for Mn-substituted CuInSe 2 chalcopyrites. Raman spectroscopy verifies the lattice disorder due to the introduction of Mn into the CuInSe 2 matrix, leading to a slight suppression of thermal conductivity. On the other hand, the Mn substitution significantly increases the electrical conductivity and Seebeck coefficient. Therefore the thermoelectric figure of merit, ZT, has been enhanced b… Show more

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Cited by 61 publications
(42 citation statements)
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“…The existence of two different cations results in two different bond distances for A−X and B−X, which yields lattice distortion and a smaller band gap than the original ZnTe type structure. [57] There are no vacancies in the diamond like structure, and the p-type conductivity is mainly attributed to the close proximity of the top of valence band to the Fermi level. The low lattice thermal conductivity and electrical conductivity originate from the distortion of the unit cell caused by the structure, [57][58] which could be simply characterized by the parameter δ (δ = c/a, where c and a are lattice parameters).…”
Section: Ternary A-b-x System (Group 3)mentioning
confidence: 99%
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“…The existence of two different cations results in two different bond distances for A−X and B−X, which yields lattice distortion and a smaller band gap than the original ZnTe type structure. [57] There are no vacancies in the diamond like structure, and the p-type conductivity is mainly attributed to the close proximity of the top of valence band to the Fermi level. The low lattice thermal conductivity and electrical conductivity originate from the distortion of the unit cell caused by the structure, [57][58] which could be simply characterized by the parameter δ (δ = c/a, where c and a are lattice parameters).…”
Section: Ternary A-b-x System (Group 3)mentioning
confidence: 99%
“…[57] Deficiency of elements, alloying, and the formation of nanocomposites are also effective routes for enhancing their thermoelectric performance. [62h, 63] In addition to the formation of stoichiometric compounds, ternary I B -III A -VI A (I B = Cu, Ag; III A = Al, Ga, In; VI A = S, Se, Te) also can form "non-stoichiometric" compounds with complex crystal structures.…”
Section: Ternary A-b-x System (Group 3)mentioning
confidence: 99%
“…For example, a decrease in electrical conductivity as a function of temperature is observed for all Cu 2 Sn 1-x In x Se 3 samples where x>0 [32]. In the case of Mn-doped CuInSe 2 ; however, the degenerate semiconductor behavior is not observed until the temperature reaches ~ 425 °C [33]. In Fig.…”
Section: Seebeck Coefficient and Electrical Conductivity As A Functiomentioning
confidence: 92%
“…8a, decreases rapidly with rising temperature as a result of the stronger phonon-phonon scattering (especially the Umklapp processes) at higher temperatures. By comparison to Mn-substituted CuInSe 2 , which displays similar behavior and magnitude of the thermal conductivity, the value for κ would likely dip well below 2 µV/K at temperatures above 500 K [33]. The thermal conductivity of the chalcopyrite system can be further reduced by appropriate inclusion of secondary phases as phonon dispersion centers.…”
Section: Thermal Conductivity and Thermoelectric Figure Of Merit Detementioning
confidence: 98%
“…The BE value of Cu2p3/2 at x=0.1 is around 932.55 eV, almost identical to that for x=0 (~932.50 eV) (Fig.S3a), confirming the existence of Cu + . 26 Similarly, the Ga2p3/2 peak position from the sample with x=0.1 is at the same position as x=0 (Fig.S3b) 32 Since the Sb 3+ has an ionic radius of 0.76 Å and electronegativity =2.05, it is expected to occupy the Cu sites (ionic radius of Cu + = 0.77 Å, electronegativity =1.9), which is leading to the overlap of wave function of antimony with tellurium for the formation of the Sb-Te bond. 31 The occupation of Sb in Cu sites below x≤0.05 can also be verified by the shrinkage of crystal lattice, as shown in Fig.1.…”
Section: Xps and Raman Spectra Analysesmentioning
confidence: 99%