We are a theoretical condensed matter group involved in designing and performing detailed theoretical investigations of different functional materials suitable for advanced technological applications. Our primary aim is to understand the route cause of exotic and emergent phenomena by carefully investigating the electronic structure, magnetic, optical, and transport properties of functional materials. We develop and employ state-of-the-art and hierarchical first-principles-based theories.
Inorganic/Organic spintronic materials
Materials for solar cell applications
Twodimensional materials and their heterostructure for energy storage applications
Topological insulators and Quantum materials
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Selected recent publications:
Pooja Sindhu, K. S. Ananthram, Anil Jain, Kartick Tarafder & Nirmalya Ballav “ Insulator-to-metal-like transition in thin films of a biological metal-organic framework” Nature Communications (2023), Vol 14, page: 2857
Pooja Sindhu, KS Ananthram, Anil Jain, Kartick Tarafder, Nirmalya Ballav “Charge-transfer interface of insulating metal-organic frameworks with metallic conduction” Nature Communications (2022), Volume :13 Issue: 1 Pages:1-10
Subhasmita Ray and Kartick Tarafder* “Investigation of CdSe and ZnSe as Potential Back Surface Field Layers for CdTe‐Based Solar Cells: A Study from First Principles Calculations” Advanced Theory and Simulations (2023), Vol:6, page: 2200718
Nayana Devaraj and Kartick Tarafder* “Spin-Transport through Van der Waals Heterojunctions Based on 2D-Ferromagnet and Transition Metal Dichalcogenides: A Study from First-Principles Calculations” Advanced theory and simulations (2022), Vol-5, page 2200178
Nayana Devaraj, Kartick Tarafder*, “Large magnetoresistance in a Co/MoS2/Graphene/MoS2/Co magnetic tunnel junction” Physical Review B (2021), Vol-103(16) Pages-165407
Indukuru Ramesh Reddy, Peter M. Oppeneer and Kartick Tarafder*. “Pressure-driven structural and spin-state transition in a Hofmann clathrate coordination polymer” Journal of Magnetism and Magnetic Materials (2021), Vol. 524, Pages 167637
Sulakshana Shenoy and Kartick Tarafder*. “Enhanced photocatalytic efficiency of layered CdS/CdSe heterostructures: Insights from first-principles electronic structure calculations.” Journal of Physics: Condensed Matter (2020), Vol:32(27), page:275501,
Sruthi T and Kartick Tarafder*. “Route to achieving enhanced quantum capacitance in functionalized graphene-based supercapacitor electrodes.” Journal of Physics: Condensed Matter (2019), Vol: 31(47), page:475502,