7 papers
Tunable electrocaloric effect in lead scandium tantalate through calcium doping
Youri Nouchokgwe, Natalya S. Fedorova, Pranab Biswas +11
State-of-the-art electrocaloric cooling prototypes rely on the conventional electrocaloric effect of ferroelectric lead scandium tantalate (PbSc0.5Ta0.5O3, PST), which peaks near r…
Tunable and Persistent Macroscopic Polarization in Nominally Centrosymmetric Defective Oxides
D. -S. Park, N. Pryds, N. Gauquelin +8
Introducing symmetry breaking in materials enables the emergence of functionalities. This can be microscopically and macroscopically driven by applying external stimuli such as mec…
Systematic generation of electron models for Second-Principles Density Functional Theory Methods
Nayara Carral-Sainz, Toraya Fernández-Ruiz, Jorge Ãñiguez +2
We present a systematic, quasi-automated methodology for generating electronic models in the framework of second-principles density functional theory (SPDFT). This approach enables…
Prediction of Room Temperature Electric Field Reversal of Magnetization in the Family of Layered Oxides
Urmimala Dey, Emma E. McCabe, Jorge Ãñiguez-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…
Trilinear coupling and toroidicity in multiferroics
Andrea Urru, Alessio Filippetti, Jorge Ãñiguez-Gonzà lez +1
Magnetoelectric responses are related in general to magnetic multipoles, and in particular the off-diagonal linear response is proportional to the toroidization order parameter. In…
Giant energy density nitride dielectrics enabled by a paraelectric-metaparaelectric phase transition
Zhijie Liu, Xingyue Ma, Lan Chen +6
Electrostatic dielectric capacitors are foundational to advance the electronics and electric power devices due to their ultrafast charging/discharging capability and high-power den…