Structural, Electronic, and Thermal Properties of CdSnAs₂

Abstract

Structural, electrical, and thermal properties of CdSnAs 2 , with analyses from temperature-dependent transport properties over a large temperature range, are reported. Phase-pure microcrystalline powders were synthesized that were subsequently densified to a high-density homogeneous polycrystalline specimen for this study. Temperature-dependent transport indicates n-type semiconducting behavior with a very high and nearly temperature independent mobility over the entire measured temperature range, attributed to the very small electron effective mass of this material. The Debye model was successfully applied to model the thermal conductivity and specific heat. This work contributes to the fundamental understanding of this material, providing further insight and allowing for investigations into altering this and related physical properties of these materials for technological applications.

Electronic and Thermal Properties of the Cation Substitution-Derived Quaternary Chalcogenide CuInSnSe4

“…The A parameter obtained from the data fit is 2 orders of magnitude larger than those for chalcopyrites CuInSe 2 and CdSnAs 2 , presumably due to the vacancies at the 4 b site as well as the mass difference due to the mixed occupancy on the 4 a site, as shown in Table . The B parameter is comparable to those for CuInSe 2 and CdSnAs 2 , possibly indicating similar anharmonicity to these materials (see Table ).…”

“…Temperature-dependent κ data with a solid line fit representing the Debye–Callaway model with fitting parameters of A = 741 × 10 –43 s 3 , B = 3.2 × 10 –18 s K –1 , and L = 1.6 μm. The inset shows κ versus T data for related ternary compounds , in comparison to that for CuInSnSe 4 .…”

“…Since the crystal structure of CuInSnSe 4 is closely related to those of ternary chalcopyrites, such as CuInSe 2 and CdSnAs 2 , it is also useful to compare the fit parameters for CuInSnSe 4 with those for the ternary compositions. The A parameter obtained from the data fit is 2 orders of magnitude larger than those for chalcopyrites CuInSe 2 and CdSnAs 2 , presumably due to the vacancies at the 4 b site as well as the mass difference due to the mixed occupancy on the 4 a site, as shown in Table . The B parameter is comparable to those for CuInSe 2 and CdSnAs 2 , possibly indicating similar anharmonicity to these materials (see Table ).…”

Recent advances in designing thermoelectric materials

“…Several experimental studies also verified this approach with improved ZT values. [325][326][327][328] Crystal symmetry is largely determined by atomic ordering in a system. Therefore, altering atomic arrangements also can influence the transport properties.…”

Predicting ferromagnetism and thermoelectric characteristics in bulk spinels ZnCr2X4 (X = S, Se) using density functional theory

“…Both phonons and electrons, contribute towards the total transfer of thermal energy. On the other hand, when the band gap happens to be extensive in the case of semiconductors, the phonon's contribution is negligible or almost diminished [74,75]. Because of this reason, the phonons contribution is neglected while investigating the thermal properties of the substances.…”