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We study within the framework of the Lifshitz theory the long-range Casimir force for in-plane isotropic and anisotropic free-standing transdimensional material slabs.

 

First principles simulations are utilized to calculate the electronic and vibrational properties of several metastable structural phases of the CuZn 2 InSe 4 quaternary chalcogenide, including stanite, kesterite, primitive mixed CuAu, wurtzite-stanite, and wurtzite-kesterite lattices. We find that although each phase is formed by nearest cation-chalcogen bonds, the structural diversity due to cation and polyhedral arrangements has direct consequences in the electronic structure. The simulations further indicate that hybrid functionals are needed to account for the s–p and p–d orbital hybridization that is found around the Fermi level, which leads to much enhanced energy band gaps when compared with standard exchange-correlation approaches. We also find that the thermal conductivities for all phases are relatively low, and the main scattering channel comes from a low frequency optical band hybridized with acoustic phonons. Given that CuZn 2 InSe 4 is a material from a larger class of quaternary chalcogenides, other materials may exhibit similar electronic and vibrational properties, which may be useful for electronic and thermal management applications. 

Thermoelectric (TE) transport in anisotropic materials is investigated based on most general thermodynamical concepts. Currents and power conversion efficiency are studied in SnSe and SnS in different directions. The design of composites whose TE performance along different principles directions is the same is proposed. Although such features do not occur naturally, such man-made anisotropic materials can be constructed using bilayers achieving much broadened working conditions of TE conversion devices. Intricate relationships between the anisotropy and the direction of the electric and heat currents are revealed, which further help us understand how transport occurs in such composites.

 

The synthesis, electronic structure and temperature dependent transport properties of polycrystalline Cu 1+x Mn 2−x InTe 4 ( x = 0, 0.2, 0.3) are reported for the first time. These quaternary chalcogenides were synthesized by direct reaction of the elements, followed by solid state annealing and hot press densification. The thermal conductivity is low for all specimens and intrinsic to the material system. Furthermore, the off-stoichiometry specimens illustrate the sensitivity of the transport properties to stoichiometry, with a greater than two-orders-of magnitude increase in carrier concentration with increased Cu content. First principles calculations of the electronic structure are also reported, and are in agreement with the experimental data. This fundamental investigation shows the potential towards further optimization of the electrical properties that, in addition to the intrinsically low thermal conductivity, provides a basis for further research into the viability of this material system for potential energy-related applications.