4 papers
Exploring Multiferroic Behavior in CaZnFeOsO: A Novel Layered 3-5 Double Perovskite Compound
Deepti Rajpoot, Paresh C. Rout, Nikita Acharya +1
We present a novel multiferroic double perovskite compound, CaZnFeOsO (CZFOO), exhibiting combined ferroelectric and ferrimagnetic properties. Through ab initio density functio…
Guest-induced phase transition leads to polarization enhancement in MHyPbCl3
Pradhi Srivastava, Sayan Maity, Varadharajan Srinivasan
We present a detailed first-principles investigation of the structural and polar properties of 3D hybrid perovskite, methylhydrazinium lead chloride, MHyPbCl3, as it transitions fr…
Exploring the structural , electronic and magnetic properties of cation ordered 3d-5d double perovskite BiFeReO and BiFeIrO thin-films from first-principles
Paresh C. Rout, Varadharajan Srinivasan
We report a first-principles study of Bi-based 3-5 ordered double perovskite oxides (ABBO) with a 3 atom (Fe) at the B-site and 5 atoms (Re,Ir) at the…
Epitaxial strain control of hole-doping induced phases in a multiferroic Mott insulator Bi2FeCrO6
Paresh Chandra Rout, Varadharajan Srinivasan
Epitaxial strain has been shown to drive structural phase transitions along with novel functionalities in perovskite-based thin-films. Aliovalent doping at the A-site can drive an…