135 citations · 167 across the 9 of their papers we have counts for
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Effect of Point Defects and Lattice Distortions on the Structural, Electronic, and Magnetic properties of CoMnAl Heusler alloy
Amar Kumar, Sujeet Chaudhary, Sharat Chandra
The effects of various point defects and lattice distortions on the structural, electronic, and magnetic properties of CoMnAl alloy are investigated using density functional th…
Towards atomistic understanding of Iron phosphate glass: a first-principles based DFT modeling and study of its physical properties
Shakti Singh, Manan Dholakia, Sharat Chandra
Iron phosphate glasses (IPG) have been proposed as futuristic glass material for nuclear waste immobilization, anode material for lithium batteries and also as bioactive glass. In…
Characterizing MRO in atomistic models of vitreous SiO generated using ab-initio molecular dynamics
Sruti Sangeeta Jena, Shakti Singh, Sharat Chandra
Vitreous silica is the most versatile material for scientific and commercial applications. Although large-scale atomistic models of vitreous-SiO (v-SiO) having medium-range…