https://uvadoc.uva.es/handle/10324/28028 Electrónica - Comunicaciones a congresos, conferencias, etc. Sun, 05 Apr 2026 22:05:06 GMT 2026-04-05T22:05:06Z https://uvadoc.uva.es/handle/10324/66550 We studied epitaxial growth of Ge films on Si(001) 2×1 at different temperatures using classical molecular dynamics simulations. Ge-Si intermixing contributes to strain accommodation mostly in the original Si substrate surface and first grown Ge layer. Stress accumulation is further released by the generation of dislocations whose amount and type depend on temperature. At high temperatures, a larger amount and more variety of dislocations are formed, thus affecting the surface morphology and consequently the size of 3D islands. Sun, 01 Jan 2023 00:00:00 GMT https://uvadoc.uva.es/handle/10324/66550 2023-01-01T00:00:00Z https://uvadoc.uva.es/handle/10324/66548 We used ab initio calculations to characterize PnVm(n=1−6,m=1,2) clusters in crystalline Si by calculating their formation energy, dipole moment and local vibrational modes. This information served us to discuss which PnVm complexes might be more relevant in doping during epitaxial growth or by ion implantation, and their possible behavior under microwave annealing treatments that was recently demonstrated as a promising process in technological nodes beyond 3 nm. Sun, 01 Jan 2023 00:00:00 GMT https://uvadoc.uva.es/handle/10324/66548 2023-01-01T00:00:00Z https://uvadoc.uva.es/handle/10324/33903 We used classical molecular dynamics simulations to reproduce basic properties of Si, Ge and SiGe using different empirical potentials available in the literature. The empirical potential that offered the better compromise with experimental data was used to study the surface stability of these materials. We considered the (100), (100)2×1 and (111) surfaces, and we found the processing temperature range to avoid the structural degradation of studied surfaces. Tue, 01 Jan 2019 00:00:00 GMT https://uvadoc.uva.es/handle/10324/33903 2019-01-01T00:00:00Z https://uvadoc.uva.es/handle/10324/33892 Electronic devices operating in harsh radiation environments must withstand high radiation levels with minimal performance degradation. Recent experiments on the radiation hardness of a new vertical p-type JFET power switch have shown a significant reduction of forward drain current under non-ionizing conditions. In this work, atomistic simulations are used to study the impact of irradiation-induced displacement damage on forward characteristics. Damage models have been updated to produce a better description of damage-dopant interactions at RT. Our results show that excess self-interstitials produced by irradiation deactivate a significant amount of B atoms, thus reducing the effective dopant concentration. Tue, 01 Jan 2019 00:00:00 GMT https://uvadoc.uva.es/handle/10324/33892 2019-01-01T00:00:00Z https://uvadoc.uva.es/handle/10324/32298 In this work we propose a methodology to analyze the elastic energy interaction at the atomic level between Si self-interstitials and extended defects in crystalline Si. The representation of this energy in maps in 2D planes shows the anisotropic nature of the elastic interaction. This elastic energy maps can be used to understand diffusion trajectories of Si self-interstitials around extended defects obtained from classical molecular dynamics simulations. The combined analysis of these trajectories and the elastic energy maps shows preferential capture directions around extended defects. Fri, 01 Jan 2016 00:00:00 GMT https://uvadoc.uva.es/handle/10324/32298 2016-01-01T00:00:00Z https://uvadoc.uva.es/handle/10324/32297 The modeling of self-interstitial defects evolution is key for process and device optimization. For a self-interstitial cluster of a given size, several configurations or topologies exist, but conventional models assume that the minimum energy one is instantaneously reached. The existence of significant energy barriers for configurational transitions may change the picture of defect evolution in non-equilibrium processes (such as ion implantation), and contribute to explain anomalous defect observations. In this work, we present a method to determine the energy barriers for topological transitions among small self-interstitial defects, which is applied to characterize the Si self-interstitial and the di-interstitial cluster. Sun, 01 Jan 2017 00:00:00 GMT https://uvadoc.uva.es/handle/10324/32297 2017-01-01T00:00:00Z https://uvadoc.uva.es/handle/10324/32296 We performed a characterization of the energetic and structural features of amorphous Si using classical molecular dynamics simulations. We generated amorphous Si samples from different procedures: quenching liquid silicon, accumulating the damage generated by subsequent energetic recoils, and accumulating point defects. The obtained energetic and structural features of these types of samples are analyzed to elucidate which procedure provides a more realistic a-Si structure. Sun, 01 Jan 2017 00:00:00 GMT https://uvadoc.uva.es/handle/10324/32296 2017-01-01T00:00:00Z