Electrónica - Comunicaciones a congresos, conferencias, etc.Electrónica - Comunicaciones a congresos, conferencias, etc.https://uvadoc.uva.es/handle/10324/280282026-04-05T14:36:10Z2026-04-05T14:36:10ZMolecular dynamics study of stress relaxation during Ge deposition on Si(100) 2×1 substratesMartín Encinar, LuisMarqués Cuesta, Luis AlbertoAboy Cebrián, MaríaLópez Martín, PedroSantos Tejido, IvánPelaz Montes, María Lourdeshttps://uvadoc.uva.es/handle/10324/665502025-02-20T07:58:48Z2023-01-01T00:00:00ZWe 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.
2023-01-01T00:00:00ZFirst principles characterization of PnVm clusters in crystalline siliconSantos Tejido, IvánAboy Cebrián, MaríaLópez Martín, PedroMarqués Cuesta, Luis AlbertoMartín Encinar, LuisPelaz Montes, María Lourdeshttps://uvadoc.uva.es/handle/10324/665482025-02-20T07:58:09Z2023-01-01T00:00:00ZWe 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.
2023-01-01T00:00:00ZModeling SiGe through classical molecular dynamics simulations: chasing an appropriate empirical potentialMartín Encinar, LuisSantos Tejido, IvánLópez Martín, PedroMarqués Cuesta, Luis AlbertoAboy Cebrián, MaríaPelaz Montes, María Lourdeshttps://uvadoc.uva.es/handle/10324/339032025-03-26T19:10:04Z2019-01-01T00:00:00ZWe 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.
2019-01-01T00:00:00ZIONDegradation in Si Devices in Harsh Radiation Environments: Modeling of Damage-Dopant InteractionsLópez Martín, PedroAboy Cebrián, MaríaMuñoz, I.Santos Tejido, IvánMarqués Cuesta, Luis AlbertoCouso, CarlosUllán, MiguelPelaz Montes, María Lourdeshttps://uvadoc.uva.es/handle/10324/338922025-03-26T19:45:07Z2019-01-01T00:00:00ZElectronic 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.
2019-01-01T00:00:00ZAtomistic study of the anisotropic interaction between extended and point defects in crystalline silicon and its influence on Si self-interstitial diffusionSantos Tejido, IvánAboy Cebrián, MaríaMarqués Cuesta, Luis AlbertoLópez Martín, PedroRuiz Prieto, ManuelPelaz Montes, María LourdesHernández Díaz, A.M.Castrillo, P.https://uvadoc.uva.es/handle/10324/322982025-03-26T19:10:04Z2016-01-01T00:00:00ZIn 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.
2016-01-01T00:00:00ZEvaluation of energy barriers for topological transitions of Si self-interstitial clusters by classical molecular dynamics and the kinetic activation-relaxation techniqueLópez Martín, PedroSantos Tejido, IvánAboy Cebrián, MaríaMarqués Cuesta, Luis AlbertoTrochet, M.Mousseau, N.Pelaz Montes, María Lourdeshttps://uvadoc.uva.es/handle/10324/322972025-03-26T19:10:04Z2017-01-01T00:00:00ZThe 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.
2017-01-01T00:00:00ZCharacterization of amorphous Si generated through classical molecular dynamics simulationsSantos Tejido, IvánLópez Martín, PedroAboy Cebrián, MaríaMarqués Cuesta, Luis AlbertoPelaz Montes, María Lourdeshttps://uvadoc.uva.es/handle/10324/322962025-03-26T19:10:04Z2017-01-01T00:00:00ZWe 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.
2017-01-01T00:00:00Z