60 citations · 156 across the 17 of their papers we have counts for
13 papers · 1 filter
Near-room-temperature magnetoelectric coupling engineered through inversion-breaking tilts in a bulk perovskite polytype
Struan Simpson, Urmimala Dey, Martin R. Lees +3
Systematic strategies to design properties such as ferroelectricity or magnetoelectric coupling are well established in simple perovskite materials, but they remain scarce in more…
Chiral soft mode transition driven by strain in ferroelectric bubble domains
Urmimala Dey, Natalya S. Fedorova, Jorge Íñiguez-González +1
Chirality in solids is attracting growing attention as a potential ferroic order, yet virtually no paradigmatic example of a soft-mode achiral-to-chiral phase transition has been f…
Goldstone-mediated polar instability in hexagonal barium titanate
S. Simpson, U. Dey, R. J. Sjökvist +5
We discover a rare structural manifestation of the Goldstone paradigm in a hexagonal polytype of the archetypal ferroelectric BaTiO3. First-principles calculations confirm the Gold…
Dielectric softening in the halide double perovskites Au (: Cs, Rb; : Cl, Br, I) via a strain-mediated pseudotriggered mechanism
Urmimala Dey, Jordan A. R. Cowell, Nicholas C. Bristowe
Halide perovskites have emerged as promising candidates for next generation photovoltaic applications, attracting significant attention in recent years. Through first-principles ca…
Electronic structure fingerprints of visible-range excitons in double perovskite oxides
Bhagyashree Behera, Debatri Ash, Urmimala Dey +6
Presence of excitons significantly influence the optoelectronic properties and potential applications of materials. Using combined theoretical and experimental tools, we investigat…
Prediction of Room Temperature Electric Field Reversal of Magnetization in the Family of Layered Oxides
Urmimala Dey, Emma E. McCabe, Jorge Íñiguez-González +1
The promise of a strong magnetoelectric coupling in a multiferroic material is not only of fundamental interest, but also forms the basis of next generation memory devices where th…
First-principles investigation of the magnetoelectric properties of BaMnO
Urmimala Dey, Mark S. Senn, Nicholas C. Bristowe
Type-II multiferroics, in which the magnetic order breaks inversion symmetry, are appealing for both fundamental and applied research due their intrinsic coupling between magnetic…
Correlation between electronic polarization and shift current in cubic and hexagonal semiconductors LiZn ( = P, As, Sb)
Urmimala Dey, Jeroen van den Brink, Rajyavardhan Ray
The rectified bulk photovoltaic effect (BPVE) in noncentrosymmetric semiconductors, also called shift current, is considered promising for optoelectronic devices, terahertz emissio…
Electric field and Strain-induced Band-gap Engineering and Manipulation of the Rashba Spin Splitting in Janus van der Waals Heterostructures
Shubham Patel, Urmimala Dey, Narayan Prasad Adhikari +1
The compositional as well as structural asymmetries in Janus transition metal dichalcogenides (J-TMDs) and their van der Waals heterostructures (vdW HSs) induce an intrinsic Rashba…
Multiple low-energy excitons and optical response of double perovskite BaScTaO
A. K. Himanshu, Sujit Kumar, Urmimala Dey +1
Large bandgap insulators are considered promising for applications such as photocatalysts, dielectric resonators and interference filters. Based on synchrotron X-ray diffraction, d…
Body centered phase of Cu at high temperature and pressure
Urmimala Dey, Nilanjan Mitra, A. Taraphder
The existence of a body centered tetragonal phase of Cu has been investigated in this manuscript when the single crystal FCC Cu is subjected to both high pressure and high temperat…
Comparative study of the compensated semi-metals LaBi and LuBi : A first-principles approach
Urmimala Dey
We have investigated the electronic structures of LaBi and LuBi, employing the full-potential all electron method as implemented in Wien2k. Using this, we have studied in detail bo…
Bulk band inversion and surface Dirac cones in LaSb and LaBi : Prediction of a new topological heterostructure
Urmimala Dey, Monodeep Chakraborty, A. Taraphder +1
We perform \textit{ab initio} investigations of the bulk and surface band structures of LaSb and LaBi and resolve the existing disagreements about the topological property of LaSb,…