Electronic structural details of donor-vacancy complexes in Si-doped Ge and Ge-doped Si
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The performance of silicon based microelectronic circuits reaches the end of the roadmap. New material systems are required for further improvements in speed and power consumption. Germanium is a possible candidate to substitute silicon for microelectronic ...
In this thesis we study the electronic structure of different two-dimensional (2D) electron systems with angular resolved photoemission spectroscopy (ARPES). This technique is based on the photoelectric effect and directly probes the electronic structure o ...
With the increasing cognition of the importance of organic molecules, they are widely applied in printing, biological and pharmacological fields, because of their special capabilities of harvesting solar light, scavenging free radicals, and chelating metal ...
We investigate the influence of the oxygen content in boron-doped nanocrystalline silicon oxide films (p-nc-SiOx) and introduce this material as window layer in n-i-p solar cells. The dependence of both, optical and electrical properties on the oxygen cont ...
At the surface of a solid, quantum mechanics allows the existence of two-dimensional Bloch waves as solutions of the Schrödinger equation. These "surface" states are interesting both for fundamental and practical reasons, and have been extensively explored ...
The Ge core-level shift across the Ge/GeO2 interface is determined within semilocal and hybrid density functional schemes. We first assess the accuracy achieved within these theoretical frameworks by comparing calculated and measured core-level shifts for ...
We present a density functional modelling study of Zn, Cu and Ni impurities in hydrogen-terminated germanium clusters. Their electronic structure is investigated in detail, especially their Jahn-Teller instabilities and electrical levels. Interstitial and ...
To accelerate reactive events in mol. dynamics simulations we introduce a general bias potential scheme which depends only on the electronic degrees of freedom of the reactive system. This electronic reaction coordinate, which is expressed in terms of a pe ...
The a-Si:H / c-Si heterostructure, is an attractive solution to avoid the presence of highly recombinative metal contacts at the surfaces of c-Si based solar cells. To assure good interface passivation, insertion of a sandwiched thin device-grade intrinsic ...
Nanocomposite coatings composed of two phases with atomically sharp phase boundaries, show interesting mechanical properties. These properties are often originating from their high interface to volume ratio. Composites of nanocrystalline titanium nitride ( ...