Temperature dependence of band gaps in semiconductors: Electron-phonon interaction

J Bhosale, AK Ramdas, A Burger, A Muñoz… - Physical Review B …, 2012 - APS
We have theoretically investigated, by ab initio techniques, the phonon properties of several
semiconductors with chalcopyrite structure. Comparison with experiments has led us to …

High Thermoelectric Performance in the Wide Band‐Gap AgGa1‐xTe2 Compounds: Directional Negative Thermal Expansion and Intrinsically Low Thermal …

X Su, N Zhao, S Hao, CC Stoumpos… - Advanced Functional …, 2019 - Wiley Online Library
A deficiency of Ga in wide band‐gap AgGa1‐xTe2 semiconductors (1.2 eV) can be used to
optimize the electrical transport properties and reduce the thermal conductivity to achieve …

Uniaxial Negative Thermal Expansion in γ-LiBO2 with a Closed-Framework Diamond-Like Structure

Z Liang, H Zhou, Y Li, MS Molokeev… - Chemistry of …, 2024 - ACS Publications
Negative-thermal-expansion (NTE) materials violate the common knowledge of “thermal
expansion and cold contraction” in solids and embrace various physical mechanisms. In …

Thermoelectric properties of Ag1− xGaTe2 with chalcopyrite structure

A Yusufu, K Kurosaki, A Kosuga, T Sugahara… - Applied Physics …, 2011 - pubs.aip.org
In the present study, we investigated the high-temperature thermoelectric (TE) properties of
AgGaTe 2 with chalcopyrite structure. We tried to enhance the TE properties of AgGaTe 2 by …

Mechanism of linear and nonlinear optical effects of chalcopyrite AgGaX2 (X= S, Se, and Te) crystals

L Bai, Z Lin, Z Wang, C Chen, MH Lee - The Journal of chemical …, 2004 - pubs.aip.org
The electronic band structures for AgGaX2 (XS, Se, Te) chalcopyrites have been calculated
using a pseudopotential total energy method. First-principles calculations of the linear and …

[HTML][HTML] Lattice parameter values and phase transitions for the Cu2-II-IV-S4 (Se4)(II= Mn, Fe, Co; IV= Si, Ge, Sn) magnetic semiconductor compounds

M Quintero, E Moreno, S Alvarez, J Marquina… - … de Metalurgia y …, 2014 - ve.scielo.org
X-ray powder diffraction measurements, at 300 K, and differential thermal analysis (DTA)
were made on sixteen polycrystalline samples of Cu2-II-IV-S4 (Se4)(II: Mn, Fe, Co; IV: Si, Ge …

Theoretical study of structural, electronic, optical, thermoelectric and photovoltaic properties of chalcopyrite semiconductors AgGaTe2 and AgGaSe2 compounds for …

B Belkacemi, N Benseddik, N Marbouh… - Journal of the Australian …, 2024 - Springer
We present a first principles investigation of structural, electronic, optical, thermoelectric, and
photovoltaic properties of the chalcopyrite AgGaTe2 and AgGaSe2 compounds, using the …

Photoreflectance study of AgGaTe2 single crystals

T Raadik, J Krustok, MV Yakushev - Physica B: Condensed Matter, 2011 - Elsevier
The optical properties of ternary chalcopyrite AgGaTe2 were studied by photoreflectance
spectorscopy (PR). Due to the optimal direct energy gap and high absorption coefficient …

Microstructural Analysis of AgIn5VI8 (VI: S, Se, Te) Ternary Semiconductors by X-Ray Diffraction

JR Fermin, CD Rincón, JA Castro - Materials Research, 2019 - SciELO Brasil
This work is a study of the microstructural properties of the polycrystalline ternary
compounds AgIn5S8, AgIn5Se8, and AgIn5Te8 by X-ray diffraction technique (XRD). The …

Band-gap bowing in and its effect on the second-order response coefficient and refractive indices

C Mitra, WRL Lambrecht - Physical Review B—Condensed Matter and …, 2007 - APS
The quaternary chalcopyrite Ag Ga (Se 1− x Te x) 2 alloy system is studied using the full-
potential linearized muffin-tin orbital method and density functional theory in the local …