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document
Jarolimek, K. (author), De Groot, R.A. (author), De Wijs, G.A. (author), Zeman, M. (author)
Quantum wells (QWs) are nanostructures consisting of alternating layers of a low and high band-gap semiconductor. The band gap of QWs can be tuned by changing the thickness of the low band-gap layer, due to quantum confinement effects. Although this principle is well established for crystalline materials, there is still controversy for QWs...
journal article 2014
document
Pfanner, G. (author), Freysoldt, C. (author), Neugebauer, J. (author), Inam, F. (author), Drabold, D. (author), Jarolimek, K. (author), Zeman, M. (author)
The performance of hydrogenated amorphous silicon (a-Si:H) solar cells is severely affected by the light-induced formation of metastable defects in the material (Staebler-Wronski effect). The common notion is that the dangling-bond (db) defect, a threefold coordinated silicon atom, plays a key role in the underlying mechanisms. To support the...
journal article 2013
document
Jarolimek, K. (author)
Crystalline silicon is probably the best studied material, widely used by the semiconductor industry. The subject of this thesis is an intriguing form of this element namely amorphous silicon. It can contain a varying amount of hydrogen and is denoted as a-Si:H. It completely lacks the neat long range order of the crystal, yet its structure is...
doctoral thesis 2011
document
Jarolimek, K. (author), De Groot, R.A. (author), De Wijs, G.A. (author), Zeman, M. (author)
We present a theoretical study of hydrogenated amorphous silicon nitride (a-SiNx:H), with equal concentrations of Si and N atoms (x=1), for two considerably different densities (2.0 and 3.0?g/cm3). Densities and hydrogen concentration were chosen according to experimental data. Using first-principles molecular-dynamics within density-functional...
journal article 2010
document
Jarolimek, K. (author), De Groot, R.A. (author), De Wijs, G.A. (author), Zeman, M. (author)
We use a molecular-dynamics simulation within density-functional theory to prepare realistic structures of hydrogenated amorphous silicon. The procedure consists of heating a crystalline structure of Si64H8 to 2370 K, creating a liquid and subsequently cooling it down to room temperature. The effect of the cooling rate is examined. We prepared a...
journal article 2009
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