188 citations · 903 across the 12 of their papers we have counts for
12 papers
First-principles DFT+GW study of oxygen vacancies in rutile TiO2
Andrei Malashevich, Manish Jain, Steven G. Louie
We perform first-principles calculations of the quasiparticle defect states, charge transition levels, and formation energies of oxygen vacancies in rutile titanium dioxide. The ca…
Imaging the buried MgO/Ag interface: formation mechanism of the STM contrast
Andrei Malashevich, Eric I. Altman, Sohrab Ismail-Beigi
Scanning tunneling microscopy (STM) provides real-space electronic state information at the atomic scale that is most commonly used to study materials surfaces. An intriguing exten…
Natural optical activity and its control by electric field in electrotoroidic systems
Sergey Prosandeev, Andrei Malashevich, Zhigang Gui +4
We propose the existence, via analytical derivations, novel phenomenologies, and first-principles-based simulations, of a new class of materials that are not only spontaneously opt…
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…
Orbital magnetoelectric coupling at finite electric field
Andrei Malashevich, David Vanderbilt, Ivo Souza
We extend the band theory of linear orbital magnetoelectric coupling to treat crystals under finite electric fields. Previous work established that the orbital magnetoelectric resp…
Chern-Simons orbital magnetoelectric coupling in generic insulators
Sinisa Coh, David Vanderbilt, Andrei Malashevich +1
We present a Wannier-based method to calculate the Chern-Simons orbital magnetoelectric coupling in the framework of first-principles density-functional theory. In view of recent d…