75 citations · 251 across the 8 of their papers we have counts for
8 papers
Understanding magnetoelectric switching in BiFeO thin films
Natalya S. Fedorova, Dmitri E. Nikonov, John M. Mangeri +3
In this work we use a phenomenological theory of ferroelectric switching in BiFeO thin films to uncover the mechanism of the two-step process that leads to the reversal of the…
First-principles Landau-like potential for BiFeO and related materials
Natalya S. Fedorova, Dmitri E. Nikonov, Hai Li +2
In this work we introduce the simplest, lowest-order Landau-like potential for BiFeO and La-doped BiFeO as an expansion around the paraelectric cubic phase in powers of pol…
Ferroelectric/paraelectric superlattices for energy storage
Hugo Aramberri, Natalya S. Fedorova, Jorge Íñiguez
The polarization response of antiferroelectrics to electric fields is such that the materials can store large energy densities, which makes them promising candidates for energy sto…
Phoebe: a High-Performance Framework for Solving Phonon and Electron Boltzmann Transport Equations
Andrea Cepellotti, Jennifer Coulter, Anders Johansson +2
Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors and energy conversion devices. Computational modeling c…
Anomalous thermoelectric transport phenomena from interband electron-phonon scattering
Natalya S. Fedorova, Andrea Cepellotti, Boris Kozinsky
The Seebeck coefficient and electrical conductivity are two critical quantities to optimize simultaneously in designing thermoelectric materials, and they are determined by the dyn…
Relationship between crystal structure and multiferroic orders in orthorhombic perovskite manganites
Natalya S. Fedorova, Yoav William Windsor, Christoph Findler +13
We use resonant and non-resonant X-ray diffraction measurements in combination with first-principles electronic structure calculations and Monte Carlo simulations to study the rela…
Four-spin ring interaction as a source of unconventional magnetic orders in orthorhombic perovskite manganites
Natalya S. Fedorova, Amadé Bortis, Christoph Findler +1
We use ab initio electronic structure calculations in combination with Monte Carlo simulations to investigate the magnetic and ferroelectric properties of bulk orthorhombic HoMnO$_…
Biquadratic and ring exchange interactions in orthorhombic perovskite manganites
Natalya S. Fedorova, Claude Ederer, Nicola A. Spaldin +1
We use ab initio electronic structure calculations within the generalized gradient approximation (GGA+U) to density functional theory (DFT) to determine the microscopic exchange in…