Related papers: Long-term stability of phase-separated Half-Heusle…
Ca$_{10}$GdCdSb$_9$ is a new Zintl phase with a large unit cell volume (~2500 {\AA}3) and a very complex, disordered structure, which can drive the realization of ultralow thermal conductivity in this material. The measured Seebeck…
Motivated by the recent discovery of near-room temperature superconductivity in high-pressure superhydrides, we investigate from first-principles the high-pressure superconducting phase diagram of the ternary Ca-B-H system, using ab-initio…
Silver bismuth diselenide (AgBiSe2) has much attention as an efficient thermoelectric material due to its low thermal conductivity. However, AgBiSe2 exhibits multiple crystal structural transitions with temperature, and high thermoelectric…
In this paper, we report the theoretical investigation and experimental realization of a new spin-gapless semiconductor (SGSs) compound CoFeMnSn belonging to the family of quaternary Heusler alloys. Through the use of several ground-state…
Room and high temperature mechanical properties of reactive magnetron sputtered TaSiN coatings were measured using nanoindentation (between 25C and 500C). Fracture toughness was also evaluated at a similar temperature range using the…
Thermoelectric properties of Half Heusler alloys are predicted by adopting an ensemble modelling approach, specifically the stacking model integrated using Random Forest and XGBoost scheme. Leveraging a diverse dataset encompassing thermal…
Ternary intermetallic half-Heusler (HH) compounds (XYZ) with 18 valence electron count viz. ZrCoSb, ZrNiSn, and ZrPdSn, have revealed promising thermoelectric properties. Exemplarily, it has been experimentally observed that a slight change…
Stannous selenide is a layered semiconductor that is a polar analogue of black phosphorus, and of great interest as a thermoelectric material. Unusually, hole doped SnSe supports a large Seebeck coefficient at high conductivity, which has…
Metallic thermoelectric materials are promising candidates for active cooling applications, where high thermal conductivity and a high thermoelectric power factor are essential to maximize effective thermal conductivity. While metals…
Noncollinear metallic antiferromagnets, with their rapid spin dynamics, efficient spin transport, and distinctive spin textures, play a pivotal role in advancing the field of spintronics. In this study, we report a comprehensive…
First-principles calculation has led to significant discoveries in materials science. Half heusler (HH) alloys, which are potential thermoelectric materials have demonstrated significant improvements in thermoelectric performance owing to…
We report $^{59}$Co, $^{93}$Nb, and $^{121}$Sb nuclear magnetic resonance (NMR) measurements combined with density functional theory (DFT) calculations on a series of half-Heusler semiconductors, including NbCoSn, ZrCoSb, TaFeSb and NbFeSb,…
Low dimensional structures have demonstrated improved thermoelectric (TE) performance because of a drastic reduction in their thermal conductivity, {\kappa}l. This has been observed for a variety of materials, even for traditionally poor…
Mg-Si-Sn solid solutions have interesting and useful semiconducting properties particularly for thermoelectric applications. While cubic solid solutions have been prepared by a variety of methods, solid solutions with a trigonal crystal…
Thermoelectric materials intrigue much interest due to their wide range of application such as power generators and refrigerators. The efficiency of thermoelectric materials is quantified by the figure of merit, and a figure greater than…
Tin chalcogenides (SnS, SnSe, and SnTe) are found to have improved thermoelectric properties upon the reduction of their dimensionality. Here we found the tilted AA + s stacked two-dimensional (2D) SnTe bilayer as the most stable phase…
Whether porosity can effectively improve thermoelectric performance is still an open question. Herein we report that thermoelectric performance can be significantly enhanced by creating porosity in n-type Mg3.225Mn0.025Sb1.5Bi0.49Te0.01,…
Since the discovery of superconductivity at 200 K in H3S [1] similar or higher transition temperatures, Tcs, have been reported for various hydrogen-rich compounds under ultra-high pressures [2]. Superconductivity was experimentally proved…
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…
High pressure structures, phase diagram and superconductivity of polonium hydrides have been systematically investigated through the first-principles calculations based on the density functional theory. With the increasing pressure, several…