Structural, thermodynamical and optical properties of Cu2-II-IV-VI4 quaternary compounds

Matsushita, Hiromichi; Ichikawa, T.; Katsui, Akinori

doi:10.1007/s10853-005-1223-5

Cited by 148 publications

(87 citation statements)

References 6 publications

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“…For instance, crystal orderings and lattice parameters of these compounds have been studied using theoretical calculations and synchrotron X-ray diffraction. [8][9][10][11] The optical energy gaps are determined by absorption spectrum, 8,9 piezoreflectance, and surface photovoltage spectroscopy. 12 The optical properties, such as, refractive index and dielectric constants are obtained from spectroscopic ellipsometry study.…”

Section: Introductionmentioning

confidence: 99%

“…13 Moreover, Debye temperature, infrared spectrum, resistivity and optical nonlinearity are also studied using various techniques. 7,[14][15][16] Meanwhile, it is noticed that (I) the results, such as band gap, 8,9,12 reported by these experiments are quite variable; (II) most of the experiments are only performed on Cu 2 ZnSiS 4 and Cu 2 ZnSiSe 4 ; (III) there is only one report on optical properties. 13 Therefore, the electronic and optical properties of all three compounds still need to be systematically addressed.…”

Section: Introductionmentioning

confidence: 99%

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First-principles study on electronic and optical properties of Cu2ZnSiV I4 (VI=S, Se, and Te) quaternary semiconductors

Zhang

Rao

et al. 2015

AIP Advances

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The electronic and optical properties of Cu2ZnSiS4, Cu2ZnSiSe4 and Cu2ZnSiTe4 in kesterite and stannite structures are systematically studied using first-principles calculations. Crystal field splitting, optical transitions, p-d bonding, and anti-bonding overlapping are analyzed. The physical and chemical trends in these properties are investigated with respect to the crystal structure and anion atomic number. The optical spectra, such as dielectric function, refractive index, reflectivity and absorption coefficient are explored in a broad range of energy. A good agreement between the calculated results and experimental data is obtained.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

First-principles study on electronic and optical properties of Cu2ZnSiV I4 (VI=S, Se, and Te) quaternary semiconductors

Zhang

Rao

et al. 2015

AIP Advances

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“…As a consequence it was found by Shimada et al [10] that the crystal growth of Cu 2 ZnSnS 4 from the melt results in the presence of impurity phases such as Cu 2 SnS 3 , ZnS and SnS, besides the quaternary chalcogenide, probably owing to segregation during the crystallization process. The solidification of a single-phase CZTS from the stoichiometric melt might be improved to some extent by the presence of a suitable seed or the action of a directional cooling, like in the Czochralski, the Bridgman-Stockbarger [11] or the gradient freezing techniques [12]. Single crystals of the Cu 2 FeSnS 4 -Cu 2 ZnSnS 4 pseudobinary series were synthesized by Bernardini et al [13] for structural investigations using the salt-flux technique reported by Moh et al [14].…”

Section: Introductionmentioning

confidence: 99%

Crystal growth of Cu2ZnSnS4 solar cell absorber by chemical vapor transport with I2

Colombara

Delsante

Borzone

et al. 2013

Journal of Crystal Growth

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Single crystals of Cu 2 ZnSnS 4 have been produced within sealed quartz ampoules via the chemical vapour transport technique using I 2 as the transporting agent. The effects of temperature gradient and I 2 load on the crystal habit and composition are considered. Crystals have been analysed with XRD, SEM, and TEM for compositional and structural uniformities at both microscopic and nanoscopic levels. The synthesized crystals have suitable (I 2 -load dependent) properties and are useful for further solar absorber structural and physical characterizations. A new chemical vapour transport method based on longitudinally isothermal treatments is attempted. Based on a proposed simplistic mechanism of crystal growth, conditions for crystal enlargement with the new method are envisaged.

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“…The reported band gaps of these materials are around 1.0~3.0 eV, [1][2][3][4] and the , solar cells have been fabricated with an efficiency factor above ~10%, 5 which make them as possible substitutes of the currently commercialized , Ga (CIGSe) solar cells, which may be limited by the scarcity of In.…”

mentioning

confidence: 99%

First-principles study on the effective masses of zinc-blend-derived Cu2Zn−IV−VI4 (IV = Sn, Ge, Si and VI = S, Se)

Liu

Chen

Zhai

et al. 2012

Journal of Applied Physics

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The electron and hole effective masses of kesterite (KS) and stannite (ST) structured Cu Zn IV VI (IV = Sn, Ge, Si and VI = S, Se) semiconductors are systematically studied using first-principles calculations. We find that the electron effective masses are almost isotropic, while strong anisotropy is observed for the hole effective mass. The electron effective masses are typically much smaller than the hole effective masses for all studied compounds. The ordering of the topmost three valence bands and the corresponding hole effective masses of the KS and ST structures are different due to the different sign of the crystal-field splitting. The electron and hole effective masses of Se-based compounds are significantly smaller compared to the corresponding S-based compounds. They also decrease as the atomic number of the group IV elements (Si, Ge, Sn) increases, but the decrease is less notable than that caused by the substitution of S by Se.

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Structural, thermodynamical and optical properties of Cu2-II-IV-VI4 quaternary compounds

Cited by 148 publications

References 6 publications

First-principles study on electronic and optical properties of Cu2ZnSiV I4 (VI=S, Se, and Te) quaternary semiconductors

First-principles study on electronic and optical properties of Cu2ZnSiV I4 (VI=S, Se, and Te) quaternary semiconductors

Crystal growth of Cu2ZnSnS4 solar cell absorber by chemical vapor transport with I2

First-principles study on the effective masses of zinc-blend-derived Cu2Zn−IV−VI4 (IV = Sn, Ge, Si and VI = S, Se)

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