3.6k citations · 5.7k across the 17 of their papers we have counts for
4 papers · 2 filters
Wannier Orbital Overlap Population (WOOP), Wannier Orbital Position Population (WOPP) and the Origin of Anomalous Dynamical Charges
Joydeep Bhattacharjee, Umesh V Waghmare
Most d^0 transition metal (TM) oxides exhibit anomalously large Born dynamical charges associated with off-centering or motion of atoms along the TM-O chains. To understand their c…
Polarization Rotation, Switching and E-T phase diagrams of BaTiO: A Molecular Dynamics Study
Jaita Paul, Takeshi Nishimatsu, Yoshiyuki Kawazoe +1
We use molecular dynamics simulations to understand the mechanisms of polarization switching in ferroelectric BaTiO achieved with external electric field. For tetragonal and or…
Multiferroic Properties of Nanocrystalline BaTiO3
R. V. K. Mangalam, Nirat Ray, Umesh V. Waghmare +2
Some of the Multiferroics [1] form a rare class of materials that exhibit magnetoelectric coupling arising from the coexistence of ferromagnetism and ferroelectricity, with potenti…
Electronic Structure, Phonons and Dielectric Anomaly in Ferromagnetic Insulating Double Perovskite La2NiMnO6
Hena Das, Umesh V. Waghmare, T. Saha-Dasgupta +1
Using first-principles density functional calculations, we study the electronic and magnetic properties of ferromagnetic insulating double-perovskite compound La2NiMnO6, which has…