5 papers · 1 filter
Lattice Dynamics, Mechanical Properties, Electronic Structure and Magnetic Properties of Equiatomic Quaternary Heusler Alloys CrTiCoZ (Z =Al,Si) using first principles calculations
Eesha Andharia, Hind Alquarashi, Bothina Hamad
First principles calculations are performed to investigate the thermodynamical stability, dynamical, mechanical, electronic and magnetic properties of CrTiCoZ (Z= Al/Si) novel quat…
The effect of finite-temperature and anharmonic lattice dynamics on the thermal conductivity of ZrS2 monolayer: self-consistent phonon calculations
Abhiyan Pandit, Bothina Hamad
Two-dimensional (2D) ZrS2 monolayer (ML) has emerged as a promising candidate for thermoelectric (TE) device applications due to its high TE figure of merit, which is mainly contri…
Thermal conductivity and enhanced thermoelectric performance of SnTe bilayer
Abhiyan Pandit, Raad Haleoot, Bothina Hamad
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…
Thermoelectric and lattice dynamics properties of layered MX (M = Sn, Pb; X = S, Te) compounds
Abhiyan Pandit, Bothina Hamad
Lead and tin chalcogenides have been studied widely due to their promising thermoelectric (TE) properties. Further enhancement in their TE efficiency has been reported upon the red…
Thermodynamic and Thermoelectric Properties of CoFeYGe (Y= Ti, Cr) Quaternary Heusler Alloys: First Principle Calculations
Raad Haleoot, Bothina Hamad
Utilizing a material in thermoelectric applications requires a mechanical, thermal, and lattice stability as well a high figure of merit (ZT). In this work, we present the structur…