Department of Electronics. University of Valladolid

Atomistic Process Simulation at e-UVA

Molecular Dynamics

Topics

Defect dynamics

Damage generation

Damage annealing

MD simulation of interstitial diffusion
at 800ºC (Cfr. Marques et al, PRB (2005))
mpg movie (5.6MB)

 

MD simulation of 5 KeV As+
implant on Si {100}
mpg movie (5MB)

MD simulation of Silicon SPER
(Solid Phase Epitaxial Regrowth) at 1100ºC
mpg movie (4MB)

Publications

·         Marques LA, Pelaz L, Santos I, Lopez P, Aboy M
Structural transformations from point to extended defects in silicon: A molecular dynamics study
Phys. Rev. B 78, 193201 (2008)

·         Pelaz L, Duffy R, Aboy M, Marques L, Lopez P, Santos I, Pawlak BJ, van Dal MJH, et al.
Atomistic modeling of impurity ion implantation in ultra-thin-body Si devices
IEEE International Electron Device Meeting (IEDM 2008), 535-538  (2008)  pdf (900 KB)

·         Santos I, Windl W, Pelaz L, Marques LA
First principles study of boron in amorphous silicon.
MRS Symp. Proc. 1070, 223-228 (2008)

·         Marques LA, Pelaz L, Santos I, Lopez P, Aboy M
Atomistic Simulation Techniques in Front-End Processing
MRS Symp. Proc. 1070, 237-248 (2008)

·         Santos I, Marques LA, Pelaz L, Lopez P, Aboy M
Physics mechanisms involved in the formation and recrystallization of amorphous regions in Si through ion irradiation.
2007 MRS Fall Meeting. Book Series: Solid State Phenomena  139, 71-76 (2008)

2007

·         L.A. Marques, L. Pelaz, P. López, I. Santos and M. Aboy
Recrystallization of atomically balanced amorphous pockets in Si: A source of point defects
Physical Review B 76, 153201, 1-4 (2007)

·         L. A. Marques, L. Pelaz, I. Santos, P. López and  M. Aboy
Molecular dynamics modeling of octadecaborane implantation into Si
Simulation of Semiconductor Processes and Devices 2007, 17-20 (2007)

·         L.A. Marques, L. Pelaz and I. Santos
Molecular dynamics study of B18H22 cluster implantation into silicon
Nuclear Instruments & Methods In Physics Research Section B 255, 242-246 (2007)

·         I. Santos, L.A. Marques, L. Pelaz and P. López
Molecular dynamics study of amorphous pocket formation in Si at low energies and its application to improve binary collision models
Nuclear Instruments & Methods In Physics Research Section B 255, 110-113 (2007)

·         L. Pelaz, L.A. Marques, P. López, I. Santos and M. Aboy
Multiscale modeling of radiation damage and annealing in Si
Nuclear Instruments & Methods In Physics Research Section B 255, 95-100 (2007)

2005-2006

·         Marques LA, Pelaz L, Santos I, Venezia VC.
Characterization of octadecaborane implantation into Si using molecular dynamics
Phys. Rev. B 74 (2006) Art.201201

·         Santos I, Marques LA, Pelaz L.
Modeling of damage generation mechanisms in silicon at energies below the displacement threshold
Phys. Rev. B 74 (2006) Art.174115

·         Marques-LA; Pelaz-L; Castrillo-P; Barbolla-J.
Molecular dynamics study of the configurational and energetic properties of the silicon self-interstitial
Phys. Rev. B 71 (2005) Art.85204

·         Santos-I; Marques-LA; Pelaz-L; Lopez-P; Aboy-M; Barbolla-J.
Molecular dynamics characterization of as-implanted damage in silicon
Mater. Sci. Eng. B 124–125 (2005) p.372-5

·         Marques-LA; Pelaz-L; Lopez-P; Aboy-M; Santos-I; Barbolla-J.
Atomistic simulations in Si processing: Bridging the gap between atoms and experiments
Mater. Sci. Eng. B 124–125 (2005) p.72-80

·         Marques-LA; Pelaz-L; Aboy-M; Lopez-P; Barbolla-J.
A novel technique for the structural and energetic characterization of lattice defects in the molecular dynamics framework
Comput. Mater. Sci. 33 (2005) p.112-17

2001-2004

·         Marques-LA; Pelaz-L; Aboy-M; Barbolla-J.
The laser annealing induced phase transition in silicon: a molecular dynamics study
Nucl. Instrum. Methods B 216 (2004) p.57-61

·         Marques-LA; Pelaz-L; Aboy-M; Enriquez-L; Barbolla-J.
Microscopic description of the irradiation-induced amorphization in silicon
Phys. Rev. Lett. 91 (2003) p.135504/1-4

·         Marques-LA; Pelaz-L; Aboy-M; Vicente-J; Barbolla-J.
The role of the bond defect on silicon amorphization: a molecular dynamics study
Comput. Mater. Sci. 27 (2003) p.6-9

·         Marques-LA; Pelaz-L; Hernandez-J; Barbolla-J; Gilmer-GH
Stability of defects in crystalline silicon and their role in amorphization
Phys. Rev. B 64 (2001) p.045214/1-9

1995-1997

·         Marques-LA; Rubio-JE; Jaraiz-M; Bailon-LA; Barbolla-JJ.
Dose effects on amorphous silicon sputtering by argon ions: A molecular dynamics simulation.
J. Appl. Phys. 81 (1997) p.1488-94

·         Marques-LA; Jaraiz-M; Rubio-JE; Vicente-J; Bailon-LA; Barbolla-J.
Molecular dynamics simulations of ion bombardment processes.
Mat. Sci. Technology 13 (1997) p.893-6

·         Marques-LA; Caturla-M-J; Diaz-de-la-Rubia-T; Gilmer-GH
Ion beam induced recrystallization of amorphous silicon: A molecular dynamics study.
J. Appl. Phys. 80 (1996) p.6160-9

·         Caturla-E-J; de-la-Rubia-TD; Marques-LA; Gilmer-GH.
Ion-beam processing of silicon at keV energies: a molecular-dynamics study.
Phys. Rev. B 54 (1996) p.16683-95

·         Rubio-JE; Marques-LA; Pelaz-L; Jaraiz-M; Barbolla-J.
Molecular dynamics study of the fluence dependence of Si sputtering by 1 keV Ar/sup +/ ions.
Nucl. Instr. Meth. B 112 (1996) p.156-9

·         Gilmer-GH; Roland-C; Stock-D; Jaraiz-M; Diaz-de-la-Rubia-T.
Simulations of thin film deposition from atomic and cluster beams.
Mat. Sci. Engineering B 37 (1996) p.1-7

·         Marques-LA; Caturla-M-J; Huang-H; Diaz-de-la-Rubia-T.
Molecular dynamics studies of the ion beam induced crystallization in silicon.
Mat. Res. Soc. Symp. Proc. 900  (1996) p.201-6

·         Caturla-MJ; Diaz-de-la-Rubia-T; Jaraiz-M; Gilmer-GH.
Atomic scale simulations of arsenic ion implantation and annealing in silicon.
Mat. Res. Soc. Symp. Proc. 900  (1996) p.45-50

·         Averback-RS; Ghaly-M; Zhu-H; Caturla-MJ; Marques-L; Diaz-de-la-Rubia-T.
Surface effects during ion beam processing of materials.
Mat. Res. Soc. Symp. Proc. 900  (1996) p.3-13

·         Rubio-JE; Marques-LA; Jaraiz-M; Bailon-LA; Barbolla-J.
Molecular dynamics simulation of amorphous silicon sputtering by Ar/sup +/ ions.
Nucl. Instr. Meth. B 102 (1995) p.301-4

·         Gilmer-GH; Diaz-de-la-Rubia-T; Stock-DM; Jaraiz-M.
Diffusion and interactions of point defects in silicon: molecular dynamics simulations.
Nucl. Instr. Meth. B 102 (1995) p.247-55

·         Stock-DM; Gilmer-GH; Jaraiz-M; Diaz-de-la-Rubia-T.
Point defect accumulation in silicon irradiated by energetic particles: A molecular dynamics simulation.
Nucl. Instr. Meth. B 102 (1995) p.207-10

·         Jaraiz-M; Gilmer-GH; Stock-DM; Diaz-de-la-Rubia-T.
Defects from implantation in silicon by linked Marlowe-molecular dynamics calculations.
Nucl. Instr. Meth. B 102 (1995) p.180-2

·         Marques-LA; Rubio-JE; Jaraiz-M; Enriquez-L; Barbolla-J.
An improved molecular dynamics scheme for ion bombardment simulations.
Nucl. Instr. Meth. B 102 (1995) p.7-11

Contacts

·         Luis A Marques. buzon

·         Lourdes Pelaz. buzon

·         Ivan Santos. buzon

·         J Emiliano Rubio. buzon

·         Martin Jaraiz. buzon

 

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