26 citations · 91 across the 12 of their papers we have counts for
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Mechanism of charge transfer and electrostatic field fluctuations in complex metallic alloys
Wai-Ga D. Ho, Wasim Raja Mondal, Swarnava Ghosh +6
Complex metallic alloys exhibit rich disorder-driven electronic, magnetic, and vibrational behavior arising from strong chemical disorder, leading to unconventional structure-prope…
Ab initio Approaches to High Entropy Alloys: A Comparison of CPA, SQS, and Supercell Methods
Mariia Karabin, Wasim Mondal, Andreas Ostlin +7
We present a comparative study of different modeling approaches to the electronic properties of the $\textrm{Hf}_{0.05}\textrm{Nb}_{0.05}\textrm{Ta}_{0.8}\textrm{Ti}_{0.05}\textrm{…
Unraveling the role of V-V dimer on the vibrational properties of VO by first-principles simulations and Raman spectroscopic analysis
Wasim Raja Mondal, Egor Evlyukhin, Sebastian A. Howard +5
We investigate the vibrational properties of VO2, particularly the low temperature M1 phase by first-principles calculations using the density functional theory as well as Raman sp…