We propose a new method for calculating optical defect levels and thermodynamic charge-transition levels of point defects in semiconductors, which includes quasiparticle corrections to the Kohn-Sham eigenvalues of density-functional theory. Its applicability is demonstrated for anion vacancies at the (110) surfaces of III-V semiconductors. We find the (+/0) charge-transition level to be 0.49 eV...

Background. Magical thinking, a sign of schizotypy, is accompanied by a decrease in the strength of left hemisphere language dominance and by an inattention towards the right side of space ("pseudoneglect"). We set out to explore whether it is also associated with a pseudoneglect in imagined space. Material and methods. Forty healthy right-handed adults were asked to imagine the contours of the...

Helium atom scattering (HAS) studies of the H-covered Mo (110) and W(110) surfaces reveal a twofold anomaly in the respective dispersion curves. In order to explain this unusual behavior we performed density-functional theory calculations of the atomic and electronic structure, the vibrational properties, and the electronic susceptibility of those surfaces. Our work provides evidence for hydrog...