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Type-II Dirac states in full Heusler compounds XInPd2 (X = Ti, Zr and Hf)
Chiranjit Mondal, Chanchal K. Barman, Biswarup Pathak +1
We predict three full Heusler compounds XInPd2 (X = Zr, Hf and Ti) to be potential candidates for type-II Dirac semimetals. The crystal symmetry of these compounds have appropriate…
Unique Dirac and Triple point fermiology in simple transition metals and their binary alloys
Chiranjit Mondal, Chanchal K. Barman, Shuvam Sarkar +3
Noble metal surfaces (Au, Ag and Cu etc.) have been extensively studied for the Shockley type surface states (SSs). Very recently, some of these Shockley SSs have been understood f…
Importance of Dispersion and Relativistic Effects for ORR Overpotential Calculation on Pt(111) surface
Akhil S. Nair, Biswarup Pathak
Density functional theory (DFT) has been used as an important tool for studying activity of oxygen reduction reaction (ORR) catalysts. The dispersion effects, which are not encount…