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20082024
most citedFirst-principle screening of structural, electronic and hydrogen storage properties of Vanadium based hydride perovskites XVH (X = Li, K)

42 citations · 189 across the 12 of their papers we have counts for

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7 papers · 1 filter

cond-mat.mtrl-sci2024★ 1 cited

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…

cond-mat.mtrl-sci2024★ 1 cited

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…

cond-mat.mtrl-sci2024★ 10 cited

Effects of metals (X = Pd, Ag, Cd ) on structural, electronic, mechanical, thermoelectric and hydrogen storage properties of LiXH perovskites

Anupam, Shyam Lal Gupta, Sumit Kumar +3

Using the WIEN2K code, the hydrogen storage capabilities of lithium compositions like LiXH (X = Pd, Ag, Cd) hydrides are examined. Structural, electrical, mechanical, thermoele…

cond-mat.mtrl-sci2024★ 1 cited

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…

cond-mat.mtrl-sci2024★ 42 cited

First-principle screening of structural, electronic and hydrogen storage properties of Vanadium based hydride perovskites XVH (X = Li, K)

Anupam, Shyam Lal Gupta, Sumit Kumar +3

V-based XVH (X = Li,K) hydrides perovskites are investigated for their hydrogen storage capacity using the WIEN2K code. To verify the stability of these hydrides, first-princip…

cond-mat.mtrl-sci2013★ 26 cited

Magnetoelastic coupling induced magnetic anisotropy in Co(Fe/Mn)Si thin films

Himanshu Pandey, P. K. Rout, Anupam +3

The influence of epitaxial strain on uniaxial magnetic anisotropy of CoFeSi (CFS) and CoMnSi (CMS) Heusler alloy thin films grown on (001) SrTiO (STO) and MgO is re…

cond-mat.mtrl-sci2012★ 20 cited

Two-dimensional electron-gas-like charge transport at magnetic Heusler alloy-SrTiO interface

P. K. Rout, Himanshu Pandey, Lijun Wu +5

We report remarkably low residual resistivity, giant residual resistivity ratio, free-electron-like Hall resistivity and high mobility ( 10 cmVs) cha…