Reinhard Scholz

TL;DR: In this paper, an empirical tight-binding method for tetrahedrally coordinated cubic materials is presented and applied to group-IV and III-V semiconductors, and the method extends existing calculations by the inclusion of all five $d$ orbitals per atom in the basis set.

TL;DR: Elstner et al. as mentioned in this paper proposed a self-consistent redistribution of Mulliken charges (SCC) approach to approximate the Kohn-Sham total energy in density functional theory with respect to charge density fluctuations.

TL;DR: In this paper, the free-carrier screening of macroscopic polarization fields in wurtzite GaN/InGaN quantum well lasers is investigated via a selfconsistent tight-binding approach.

TL;DR: It is shown that continuous band energy tuning is indeed possible by varying the blend ratios of certain organic phthalocyanines and their fluorinated or chlorinated derivatives, and photoelectron spectroscopy confirms that the ionization energies of crystalline organic semiconductors can be continuously tuned over a wide range by blending them with their halogenated derivatives.

TL;DR: In this paper, the free-carrier screening of macroscopic polarization fields in wurtzite GaN/InGaN quantum wells lasers is investigated via a selfconsistent tight-binding approach.