83 citations · 195 across the 11 of their papers we have counts for
4 papers · 1 filter
Strain Tuning of Plasma Frequency in Vanadate, Niobate, and Molybdate Perovskite Oxides
Arpita Paul, Turan Birol
A novel approach for finding new transparent conductors involves taking advantage of electronic correlations in metallic transition metal oxides, such as SrVO, to enhance the e…
Spin-lattice and electron-phonon coupling in 3/5 hybrid SrNiIrO
Kenneth R. O'Neal, Arpita Paul, Amal al-Wahish +10
While 3-containing materials display strong electron correlations, narrow band widths, and robust magnetism, 5 systems are recognized for strong spin-orbit coupling, increase…
Applications of DFT+DMFT in Materials Science
Arpita Paul, Turan Birol
First principles methods can provide insight into materials that is otherwise impossible to acquire. Density Functional Theory (DFT) has been the first principles method of choice…
SCAN: An Efficient Density Functional Yielding Accurate Structures and Energies of Diversely-Bonded Materials
Jianwei Sun, Richard C. Remsing, Yubo Zhang +9
Kohn-Sham density functional theory (DFT) is a widely-used electronic structure theory for materials as well as molecules. DFT is needed especially for large systems, ab initio mol…