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A first principles investigation of cubic BaRuO: A Hund's metal
Nagamalleswararao Dasari, S. R. K. C. Sharma Yamijala, Manish Jain +4
A first-principles investigation of cubic-BaRuO, by combining density functional theory with dynamical mean-field theory and a hybridization expansion continuous time quantum M…
Probing 2D Black Phosphorus by Quantum Capacitance Measurements
Manabendra Kuiri, Chandan Kumar, Biswanath Chakraborty +5
Two-dimensional materials and their heterostructures have emerged as a new class of materials for not only fundamental physics but also for electronic and optoelectronic applicatio…
Solid-state optical absorption from optimally-tuned time-dependent range-separated hybrid density functional theory
Sivan Refaely-Abramson, Manish Jain, Sahar Sharifzadeh +2
We present a framework for obtaining reliable solid-state charge and optical excitations and spectra from optimally-tuned range-separated hybrid density functional theory. The appr…