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9 papers · 2 filters
Giant and reversible extrinsic magnetocaloric effects in La0.7Ca0.3MnO3 films due to strain
X. Moya, L. E. Hueso, F. Maccherozzi +11
Large thermal changes driven by a magnetic field have been proposed for environmentally friendly energy efficient refrigeration, but only a few materials which suffer hysteresis sh…
Speeding up the solution of the Bethe-Salpeter equation by a double-grid method and Wannier interpolation
David Kammerlander, Silvana Botti, Miguel A. L. Marques +2
The Bethe-Salpeter equation is a widely used approach to describe optical excitations in bulk semiconductors. It leads to spectra that are in very good agreement with experiment, b…
Foundations of stochastic time-dependent current-density functional theory for open quantum systems: Potential pitfalls and rigorous results
Roberto D'Agosta, Massimiliano Di Ventra
We clarify some misunderstandings on the time-dependent current density functional theory for open quantum systems we have recently introduced [M. Di Ventra and R. D'Agosta, Phys.…
Full magnetoelectric response of Cr2O3 from first principles
Andrei Malashevich, Sinisa Coh, Ivo Souza +1
The linear magnetoelectric response of Cr2O3 at zero temperature is calculated from first principles by tracking the change in magnetization under a macroscopic electric field. Bot…
Electronic stopping power in gold: The role of d electrons and the H/He anomaly
M. Ahsan Zeb, J. Kohanoff, D. Sanchez-Portal +3
The electronic stopping power of H and He moving through gold is obtained to high accuracy using time-evolving density-functional theory, thereby bringing usual first-principles ac…
An accurate measurement of electron beam induced displacement cross sections for single-layer graphene
J. C. Meyer, F. Eder, S. Kurasch +9
We present an accurate measurement and a quantitative analysis of electron-beam induced displacements of carbon atoms in single-layer graphene. We directly measure the atomic displ…