112 citations · 157 across the 3 of their papers we have counts for
10 papers
Ferroelectricity in layered bismuth oxide down to 1 nanometer
Qianqian Yang, Jingcong Hu, Yue-Wen Fang +17
Atomic-scale ferroelectrics are of great interest for high-density electronics, particularly field-effect transistors, low-power logic, and nonvolatile memories. We devised a film…
Multiple structural transitions driven by spin-phonon couplings in a perovskite oxide
Claudio Cazorla, Oswaldo Dieguez, Jorge Iniguez
Spin-phonon interactions are central to many interesting phenomena, ranging from superconductivity to magnetoelectric effects. Yet, they are believed to have a negligible influence…
Strain engineering magnetic frustration in perovskite oxide thin films
Carlos Escorihuela-Sayalero, Oswaldo Diéguez, Jorge Íñiguez
Our first-principles results show that geometric frustration can be induced in thin films of multiferroic BiFeO3. We find that competing magnetic interactions occur in the so-calle…
First-principles investigation of morphotropic transitions and phase-change functional responses in BiFeO3-BiCoO3 multiferroic solid solutions
Oswaldo Diéguez, Jorge Íñiguez
We present an ab initio study of the BFCO solid solution formed by multiferroics BiFeO3 (BFO) and BiCoO3 (BCO). We find that BFCO presents a strongly discontinuous morphotropic tra…
Theoretical study of ferroelectric potassium nitrate
Oswaldo Dieguez, David Vanderbilt
We present a detailed study of the structural behavior and polarization reversal mechanism in phase III of KNO, an unusual ferroelectric material in which the nitrate groups ro…
Wannier-based definition of layer polarizations in perovskite superlattices
Xifan Wu, Oswaldo Diéguez, Karin M. Rabe +1
In insulators, the method of Marzari and Vanderbilt [Phys. Rev. B {\bf 56}, 12847 (1997)] can be used to generate maximally localized Wannier functions whose centers are related to…