Boron diffusion in silicon: the anomalies and control by point defect engineering

L Shao, J Liu, QY Chen, WK Chu - Materials Science and Engineering: R …, 2003 - Elsevier
The fabrication of ultra large-scale integrated (ULSI) circuits with ever shrinking feature size
requires a continued reduction of diffusion lengths of dopants in Si. However, boron implants …

Trivacancy and trivacancy-oxygen complexes in silicon: Experiments and ab initio modeling

VP Markevich, AR Peaker, SB Lastovskii, LI Murin… - Physical Review B …, 2009 - APS
A center from the family of “fourfold coordinated (FFC) defects”, previously predicted
theoretically, has been experimentally identified in crystalline silicon. It is shown that the …

Nonstoichiometry accommodation in SrTiO thin films studied by positron annihilation and electron microscopy

DJ Keeble, S Wicklein, L Jin, CL Jia, W Egger… - Physical Review B …, 2013 - APS
Accommodation of nonstoichiometry in SrTiO 3 pulsed laser deposited (PLD) films was
investigated using positron annihilation lifetime spectroscopy and (scanning) transmission …

Shape transition of medium‐sized neutral silicon clusters

A Sieck, T Frauenheim, KA Jackson - physica status solidi (b), 2003 - Wiley Online Library
Addressing the shape transition of silicon clusters, indicated by mobility experiments on
silicon cluster cations with 24 to 30 atoms, we investigate the structure of low energy neutral …

Stable Fourfold Configurations for Small Vacancy Clusters in Silicon <?format ?>from ab initio Calculations

DV Makhov, LJ Lewis - Physical review letters, 2004 - APS
Using density-functional-theory calculations, we have identified new stable configurations
for tri-, tetra-, and pentavacancies in silicon. These new configurations consist of …

Electronic and dynamical properties of the silicon trivacancy

J Coutinho, VP Markevich, AR Peaker, B Hamilton… - Physical Review B …, 2012 - APS
The trivacancy (V 3) in silicon has been recently shown to be a bistable center in the neutral
charge state, with a fourfold-coordinated configuration, V 3 [FFC], lower in energy than the …

Critical assessment of machine-learned repulsive potentials for the density functional based tight-binding method: A case study for pure silicon

D Bissuel, T Albaret, TA Niehaus - The Journal of Chemical Physics, 2022 - pubs.aip.org
We investigate the feasibility of improving the semi-empirical density functional based tight-
binding method through a general and transferable many-body repulsive potential for pure …

Properties of optically active vacancy clusters in type IIa diamond

JM Mäki, F Tuomisto, CJ Kelly, D Fisher… - Journal of Physics …, 2009 - iopscience.iop.org
In this paper we report on the positron lifetime results obtained for brown and colourless
natural diamond. Optical effects of the observed vacancy defects in brown, high pressure …

Front-end process modeling in silicon

L Pelaz, LA Marqués, M Aboy, P López… - The European Physical …, 2009 - Springer
Front-end processing mostly deals with technologies associated to junction formation in
semiconductor devices. Ion implantation and thermal anneal models are key to predict …

Preferential growth mode of large-sized vacancy clusters in silicon: a neural-network potential and first-principles study

T Ushiro, T Yokoi, Y Noda, E Kamiyama… - The Journal of …, 2021 - ACS Publications
An artificial-neural-network (ANN) interatomic potential trained with data from density-
functional-theory (DFT) calculations is developed to reveal favorable modes of large-sized …