Multiferroics, where multiple ferroic orders coexist and are intimately coupled, promise novel
applications in conceptually new devices on one hand, and on the other hand provide …

First-principles calculations are conducted to compute linear magnetoelectric coupling
coefficients in epitaxial (001) Sr 0.5 Ba 0.5 MnO 3 films. A large enhancement of different …

Defect engineering in perovskite oxides enables novel functionalities by inducing and
controlling lattice defects, effectively breaking lattice symmetry, stabilizing polar states and …

An atomistic effective Hamiltonian is used to compute electrocaloric (EC) effects in rare-earth-
substituted BiFeO 3 multiferroics. A phenomenological model is then developed to interpret …

Density functional theory (DFT) calculations are used to study the magnetic and ferroelectric
properties of Sr 1− x Ba x Mn O 3, with focus on x= 0.5, under isotropic volume expansion or …

This dissertation contains several investigations on the cross-coupling between structural
and spin degrees of freedom in multiferroic and ferrimagnetic compounds by means of first …