Related papers: Stability and thermoelectric properties of transit…
Recent results have demonstrated an exceptionally high dielectric constant in the range 200 K-330 K in a crystalline tianium oxide : Rb2Ti2O5. In this article, the possibility of a structural transition giving rise to ferroelectricity is…
V$_3$Si thin films are known to be superconducting with transition temperatures up to 15 K, depending on the annealing temperature and the properties of the substrate underneath. Here we investigate the film structural properties with the…
Using \textit{ab-initio} methods we study structural, electronic and magnetic properties of two dimensional compounds with stoichiometry M$_2$N$_3$ (M-metal, N=S,Se,Te). Our study shows that structures with Cr, Ti, and Mn are stable, with…
Thermoelectric devices can directly convert waste heat into electricity, which makes them an important clean energy technology. The underlying materials performance can be evaluated by the dimensionless figure of merit ZT. Metal halides are…
We investigate the behavior of the thermoelectric power [S] in disordered systems close to the Anderson-type metal-insulator transition [MIT] at low temperatures. In the literature, we find contradictory results for S. It is either argued…
This work presents a comprehensive investigation of the thermoelectric properties of bulk hybrid perovskites with the general formula MAxCs1-xSnI3 (0 < x < 1). A series of bulk samples were synthesized and systematically characterized to…
A novel phenomenological framework for an efficient estimation of the thermo-electric properties at room temperature and elevated temperatures of body-centered cubic (BCC) transition metal concentrated alloys is proposed in this work. The…
Ternary silicides MI(MII0.5, Si0.5)2 (MI=Sr and Ba, MII=Al and Ga) were prepared by Ar arc melting. Powder X-ray diffraction indicates that they have the AlB2-type structure, in which Si and MII atoms are arranged in honeycomb layers and MI…
Polycrystalline sample of the new layered superconductor Bi4O4S3 is successfully synthesized by solid-state reaction method by using Bi, S and Bi2O3 powders with one step reaction. The superconducting transition temperature (Tconset=4.5 K),…
Materials able to rapidly switch between thermally conductive states by external stimuli such as electric or magnetic fields can be used as all-solid-state thermal switches and open a myriad of applications in heat management, power…
We report on the superconductivity in ternary transition metal tellurides Ta2Pd3Te5 and Nb2Pd3Te5, which have a one-dimensional crystal structure. Single-crystalline and polycrystalline samples of Ta2Pd3Te5 show nonmetallic electron…
The electrical resistivity of a single crystal of MnSi was measured across its ferromagnetic phase transition line at ambient and high pressures. Sharp peaks of the temperature coefficient of resistivity characterize the transition line.…
The transition metal dichalcogenide $1T$-TiSe$_2$ is a quasi-two-dimensional layered material with a phase transition towards a commensurate charge density wave (CDW) at a critical temperature T$_{c}\approx 200$K. The relationship between…
Bi2Te3-xSex family has been the n-type start-of-the-art thermoelectric materials near room temperatures (RT) for more than half-century, which dominates the active cooling and novel waves harvesting application near RT. However, the…
The layered Bi-chalcogenide compounds have been drawing much attention as a new layered superconductor family since 2012. Due to the rich variation of crystal structure and constituent elements, the development of new physics and chemistry…
Topological semimetals are systems in which the conduction and the valence bands cross each other and this crossing is protected by topological constraints. These materials provide an intriguing test of fundamental theory and their…
The crystallographic and magnetic properties of the cleavable 4d3 transition metal compound a-MoCl3 are reported, with a focus on the behavior above room temperature. Crystals were grown by chemical vapor transport and characterized using…
We present a study on the structural, spectroscopic, conducting and magnetic properties of Mg5C60, a two dimensional (2D) fulleride polymer. The polymer phase is stable up to the exceptionally high temperature of 823 K. Infrared and Raman…
We investigate crystalline thermodynamic stable lithium silicides phases (LixSiy) with density functional theory (DFT) and a force-field method based on modified embedded atoms (MEAM) and compare our results with experimental data. This…
In this work, we report an ab initio investigation based on density functional theory of the structural, energetic and electronic properties of 2D layered chalcogenides compounds based in the combination of the transition-metals (Ti, Zr,…