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13 papers · 2 filters
Evidence for a direct band gap in the topological insulator Bi2Se3 from theory and experiment
I. A. Nechaev, R. C. Hatch, M. Bianchi +8
Using angle-resolved photoelectron spectroscopy and ab-initio GW calculations, we unambiguously show that the widely investigated three-dimensional topological insulator Bi2Se3 has…
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…
Ideal two-dimensional electron systems with a giant Rashba-type spin splitting in real materials: surfaces of bismuth tellurohalides
Sergey V. Eremeev, Ilya A. Nechaev, Yury M. Koroteev +2
Spintronics is aimed at active controlling and manipulating the spin degrees of freedom in semiconductor devices. A promising way to achieve this goal is to make use of the tunable…
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…
Challenges in Truncating the Hierarchy of Time-Dependent Reduced Density Matrices Equations: Open Problems
Ali Akbari, Mohammad Javad Hashemi, Risto M. Nieminen +2
In this work, we analyze the Born, Bogoliubov, Green, Kirkwood and Yvon (BBGKY) hierarchy of equations for describing the full time-evolution of a many-body fermionic system in ter…
Enhanced excitonic effects in the energy loss spectra of LiF and Ar at large momentum transfer
S. Sharma, J. K. Dewhurst, A. Sanna +2
It is demonstrated that the bootstrap kernel [\onlinecite{sharma11}] for finite values of crucially depends upon the matrix character of the kernel and gives results of t…