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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
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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