35 citations · 35 across the 1 of their papers we have counts for
4 papers
Designing of Magnetic MAB Phases for Energy Applications
Chen Shen, Qiang Gao, Nuno M. Fortunato +4
Based on high-throughput density functional theory calculations, we performed screening for stable magnetic MAB compounds and predicted potential strong magnets for permanent magne…
Effect of N, C and B interstitials on the structural and magnetic properties of alloys with CuAu-structure
Ingo Opahle, Harish K. Singh, Jan Zemen +2
High-throughput density functional calculations are used to investigate the effect of interstitial B, C and N atoms on 21 alloys reported to crystallize in the cubic CuAu struc…
Polytypism at its best: improved thermoelectric performance in Li based Nowotony-Juza phases
Uday Chopra, Mohd Zeeshan, Shambhawi Pandey +3
In principle thermoelectricity is a viable route of converting waste heat into electricity, but the commercialization of the technology is limited by its present efficiency. In que…
Ab-initio design of new Heusler materials for thermoelectric applications
Mohd Zeeshan, Harish K. Singh, Jeroen van den Brink +1
In search of new prospects for thermoelectric materials, using ab-initio calculations and semi-classical Boltzmann theory, we have systematically investigated the electronic struct…