1 citations · 3 across the 5 of their papers we have counts for
5 papers
First-principles investigation of multifaceted properties; lattice dynamic, structural stability, mechanical, electronic, magnetic and thermodynamic response of Alkali metals-based semi Heusler alloys
Diwaker, Shyam L. Gupta, Anupam +3
Taking into considerations the wide compositional stretch of Heusler alloys, the first principles density functional theory based calculations are excellently suitable for estimati…
Spin-polarized DFT calculations for physical properties of novel KVSb half-Heusler compound for spintronic and thermodynamic applicability
Ashwani Kumar, Anupam, Shyam L. Gupta +3
In the reported study we have investigated the robust phase stability, elasto-mechanical, thermophysical and magnetic properties of KVSb half Heusler compound by implementing densi…
Investigations of the Effects of Pressure on the Structural and Electronic Properties of CoVZ (Z = Al, Be) Full Heusler Alloy: A Comparative Study Using DFT
Sumit Kumar, Diwaker, Karan Singh Vinayak +1
This study focuses on the investigations and comparative study of the electronic structure of CoVZ (Z=Al, Be) Heusler alloys under varying high pressure conditions. The pressur…
Effects of metals (X = Zn, Co) on structure, electronic bands and gravimetric capacity of KXH hydrides
Anupam, Shyam Lal Gupta, Sumit Kumar +3
Using the WIEN2K code, the hydrogen storage capabilities of lithium-based KXH (X = Zn, Co) hydrides perovskites are examined. To verify the stability of these hydrides, first-p…
Ab-initio investigations of novel potential all-d metal Heusler alloys CoMnNb
Sumit Kumar, Diwaker, Vivek Kumar +2
In this study, we employ the Wien2k code to conduct ab-initio study of a novel potential all-d-metal Heusler alloy CoMnNb. The analysis utilizes the comparison of local spin de…