The topological phase transition and thermoelectric performance of LaPtBi under hydrostatic
pressure up to 34.6 GPa have been systematically investigated using first-principles …

We report various phase transitions in half-Heusler TbPtBi compound using density
functional theory. Specifically, the inclusion of spin–orbit coupling (SOC) leads to the band …

209Bi nuclear magnetic resonance (NMR) was measured in half-Heusler bismuthides
ScPdBi, LuPdBi, and LuPtBi and discussed in conjunction with the NMR data recently …

The compound GdPtBi is known as a material where the nontrivial topology of electronic
bands interplays with an antiferromagnetic order, which leads to the emergence of many …

We investigate structural, elastic, electronic and thermoelectric properties of ScRhTe with
frame work of density functional theory and Boltzmann equations. The physical properties …

In this paper, the structural, electronic and optical properties of LuPdBi and ScPdBi
compounds are investigated using the density functional theory by WIEN2K package within …

The concept of the geometric Berry phase of the quantum mechanical wave function has led
to a better theoretical understanding of natural phenomena in all fields of fundamental …

Under the density functional theory framework, we have calculated the electronic and elastic
properties of APoO 3 (A= Be, Mg, Ca, Sr, Ba, and Ra) cubic perovskites. We found that …

The structural, electronic and magnetic properties and existence of topological phase of Gd
x Y 1− x PtBi (x= 0, 0.25, 0.5, 0.75, 1) alloys are studied using density functional theory. The …

Property Engineering of Rare-earth Based Half Heusler Thin Films and Membranes by Dongxue
Du A dissertation submitted in partial Page 1 Property Engineering of Rare-earth Based Half …