7 papers
Atomistic study of finite temperature properties in ferroelectric BiAlO
Indranil Mal, Chandan Kumar Vishwakarma, Mohd Zeeshan +2
The lead-free perovskite ferroelectrics captivate researchers with their unique functional properties leading to important technological applications. In the search for a new lead-…
Magnetic, transport and electronic properties of NiFeAl Heusler alloy nanoparticles: Experimental and theoretical investigation
Priyanka Yadav, Mohd Zeeshan, Brajesh K. Mani +1
We present a comprehensive investigation of structural, magnetic and transport properties of NiFeAl Heusler alloy nanoparticles (NPs) synthesized via template-less chemical rou…
Anomalous lattice anharmonicity and spin-lattice coupling in spin orbit coupled halide K2IrBr6
S. Bhatia, A. Ahmad, M. Zeeshan +5
The interplay between lattice distortions, magnetism, and spin-orbit coupling in 5d transition-metal halides offers a fertile platform for exploring correlated spin-lattice dynamic…
Designing new Zintl phases SrBaX (X = Si, Ge, Sn) for thermoelectric applications using \textit{ab initio} techniques
Vivek Gusain, Mohd Zeeshan, B. K. Mani
Slack's phonon-glass and electron-crystal concept has been the guiding paradigm for designing new thermoelectric materials. Zintl phases, in principle, have been shown as great con…
Promising High Temperature Thermoelectric Performance of Alkali Metal-based Zintl phases XAgY (X = Na, K; Y = Sb, Bi): Insights from First-Principles Studies
Mohd Zeeshan, Indranil Mal, B K Mani
In the quest for novel thermoelectric materials to harvest waste environmental heat, we investigate alkali metal-based Zintl phases XAgY (X = Na, K, and Y = Sb, Bi) utilizing f…
Emergence of half-metallic ferromagnetism and valley polarization in transition metal substituted WSTe monolayer
Shivani Kumawat, Chandan Kumar Vishwakarma, Mohd Zeeshan +3
Two-dimensional (2D) Janus materials hold a great importance in spintronic and valleytronic applications due to their unique lattice structures and emergent properties. They intrin…