Bond-stretching force constant of AIBIIIC2V I and AIIBIVC2V chalcopyrite semiconductors

We have successfully synthesized Samarium oxide (Sm2O3) doped borate glasses by conventional rapid melt quench method. The prepared batch was melted at suitable transition temperature and to improve the crystalline phases, glass was kept at 500°C for 7 h. The X-ray diffraction (XRD) pattern identified the amorphous nature of glass and photoluminescence emission properties proved the optical properties of Sm2O3 doped borate glass. Fourier transform infrared spectroscopy (FTIR) and FT-Raman studies suggested that Sm2O3 could modify the properties of glass

	 

	Key words: Rare earth element, X-ray diffraction (XRD), photoluminescence, Fourier transform infrared spectroscopy (FTIR) and FT-Raman studies.

/pdf/influence-of-samarium-oxide-ions-on-structural-and-optical-5m4eefnjrq.pdf

Influence of Samarium Oxide ions on structural and optical properties of borate glasses

Electronic properties of chalcopyrite CuAlX2(X=S,Se,Te) compounds

Thermal properties (i.e. lattice thermal expansion coefficient, αL, and heat of formation, −ΔH f) of chalcopyrite-structured solids were evaluated. Values of αL of and chalcopyrite semiconductors exhibit a linear relationship when plotted on a log–log scale against the nearest neighbour distance, d (A), but fall on two straight lines according to the ionic charge product of the compounds. On the basis of this result, a simple lattice thermal expansion–heat of formation relationship is proposed and used to estimate the heat of formation of these semiconductors. Application of the proposed relationship to AIBIIIC2 VI and AIIBIVC2 V chalcopyrite semiconductors provides a better agreement with experimental data as compared to the values evaluated by earlier researchers. The results for αL differ from experimental data by 4% for ZnSiP2, 4.6% for ZnSnP2, 3.7% for CdGeP2, 0.78% for CuGaS2, 1.7% for CuGaTe2 and 4.3% for AgGaSe2. The results for heat of formation differ from experimental data by 2.9 for ZnSiP2, 0....

Thermal properties of chalcopyrite semiconductors

As lead-free halide perovskite material has favourable applications toward solar cells and renewable energy resources. This paper aims to study the optoelectronic, thermoelectric and mechanical behaviour of novel compound Cs2CuAsX6 (X = Cl, Br, I) in the framework of density functional theory using wien2k code. To check crystal and thermodynamical stability, we investigated the lattice constant (ao), tolerance factor (tf) and formation energy (ΔHf) of Halide Double Perovskites (HDPs). Band structure calculation performs by PBE-GGA potential reveals the indirect and narrow band gaps, which have been further verified using TB-mBJ approach and obtained values are (1.03, 0.92, 0.6) eV for Cs2CuAsCl6, Cs2CuAsBr6, and Cs2CuAsI6, respectively. Furthermore, the investigation of the maximum optical conductivity within the energy range of 1.0–4.0 eV has demonstrated that the examined Double Perovskites (DPs) hold great potential for application in optoelectronic and photovoltaic devices. The semi-classical Boltzmann theory is employed for thermoelectric property calculation and Seebeck values along with electrical conductivity confirm the good figure of merits. Cs2CuAsI6 has the highest ZT of the DPs that were examined, which is noteworthy. Also, Cs2CuAsI6 is mechanically stable and shows ductile nature of material. 

Effect of position occupancy of different elements on the structural stability, optoelectronic, thermoelectric and elastic properties of Cs2CuAsX6 (X: Cl, Br, I) halide double perovskite: DFT analysis

The bulk crystals of the CuAlTe2 semiconductor ternary compound with the chalcopyrite structure were prepared, and their optical properties were investigated. It was determined that the value of band gap energy equals 1.69 and 1.65 eV at 105 and 293 K, respectively. The photoluminescence spectra were measured for the first time and contain broad bands with peaks at 1.09 eV (78 K) and 1.03 eV (293 K). The full width at half maximum (FWHM) for both temperatures is 0.28 eV. The origin of this band is associated with band to deep acceptor optical transition. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

Optical absorption and photoluminescence of CuAlTe2

Bulk crystals of the ternary CuAlTe2 semiconductor with chalcopyrite structure were prepared and their structural and optical properties, including transmission and reflectance, were investigated. It was evaluated that the value of optical gap energy equals 1.65 eV at 293 K. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

Growth and optical properties of CuAlTe2

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Optical absorption and photoluminescence of CuAlTe2

Growth and optical properties of CuAlTe2