Congratulations to Christian who recently managed to defend his PhD thesis succesfully! Lots of thanks go to Urbana Champagne, Illinois, to André Schleife who supported Christians very advanced and elaborous optics simulations a lot. The thesis can be found online and parts of it were already published . Continue reading
In his most recent publication “Improved recursive Green’s function formalism for quasi one-dimensional systems with realistic defects” Fabian shows a significant speedup of his recursive Green’s function formalism . Based on that, the conductivity of carbon nano tubes can be computed much faster. This allows to compute tubes of realistic size with a huge number of defects. Continue reading
Chemical functionalization of carbon nano tubes is a very hot topic as it is considered now as one of the key step for the fabrication of tube based electronic devices. By nature, carbon nanotubes are chemically quite inert and thus defects are required as seed for the growth of functional layers. In a recent simulation study Anja shows now, how the first steps of aluminum oxide atomic layer deposition can be performed on typical CNT defects . Continue reading
Carbon nanotubes show electronic properties which are remarkably sensitive to mechanical strain. Thus, CNTs are expected to be promising candidates for nano scale strain sensors. Even more, they are discussed as a key component of future nano-opto-electro-mechanical systems (NOEMS).
Consequently, a comprehensive model for strained CNT transistors was recently published by Christian . Continue reading
In a recent paper in Physical chemistry chemical Physis we study the mechanisms for atomic layer deposition using the Cu(acac)2 precursor . By first-principles calculations and reactive molecular dynamics simulations we show that Cu(acac)2 chemisorbs on the hollow site of the Cu(110) surface and decomposes easily into a Cu atom and the acac-ligands. Continue reading
Ultra low-k dielectrics are one of the key components which allow for further shrinking of the the interconnect system used in todays semiconductor technology. During manufacturing steps such as trench etching the ULK material is degraded and some repair chemistry is required to restore its k-value. In a recent paper which appeared in Journal of Vacuum Science and technology Anja now modeled elementary steps of such an in-situ repair approach by using DFT calculations. Continue reading
Christian now went to US for a few months. He will study advanced electronic structure calculations in André Schleife’s group at the university of Illinois at Urbana-Champaign. Christian will use the methods to calculate the optical properties of CNTs which will finally complement his PhD. André, who initially comes from Chemnitz as well, is a recognized expert in this field. We wish Christian a good and succesfull stay and thank André for his support.
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Two contributions from the group are now published in a special issue of Microelectronics Engineering which contains original paper from the “Materials for advanced metallization conference 2014” held in Chemnitz, Germany. Continue reading