Charge optimized many-body potential for the system

J Yu, SB Sinnott, SR Phillpot - Physical Review B—Condensed Matter and …, 2007 - APS
A dynamic-charge, many-body potential for the Si∕ SiO 2 system, based on an extended
Tersoff potential for semiconductors, is proposed and implemented. The validity of the …

[HTML][HTML] Effects of post oxidation of SiO2/Si interfaces in ultrahigh vacuum below 450° C

ZJ Rad, JP Lehtiö, K Chen, I Mack, V Vähänissi… - Vacuum, 2022 - Elsevier
Growing SiO 2 layer by wet-chemical oxidation of Si surfaces before growth of another
insulating film (s) is a used method to passivate Si interfaces in applications (eg, solar cell …

[PDF][PDF] Phosphine oxide monolayers on SiO2 surfaces

R Yerushalmi, JC Ho, Z Fan… - … EDITION IN ENGLISH-, 2008 - eezfan.home.ece.ust.hk
Molecular thin films utilizing phosphonates are widely used in a variety of chemical
applications, such as surfactants, stabilization of nanoparticle suspensions, layer by layer …

Structure, defects, and strain in silicon-silicon oxide interfaces

G Kovačević, B Pivac - Journal of applied physics, 2014 - pubs.aip.org
The structure of the interfaces between silicon and silicon-oxide is responsible for proper
functioning of MOSFET devices while defects in the interface can deteriorate this function …

Atomic level modeling of extremely thin silicon-on-insulator MOSFETs including the silicon dioxide: Electronic structure

S Markov, B Aradi, CY Yam, H Xie… - … on Electron Devices, 2015 - ieeexplore.ieee.org
Ultimate scaling of Si MOSFETs leads to extremely thin and short channels, which are
justifiably modeled at the atomic level. Currently, hydrogen passivation of the channel is …

On the c-Si|a-SiO2 Interface in Hyperthermal Si Oxidation at Room Temperature

U Khalilov, G Pourtois, ACT Van Duin… - The Journal of Physical …, 2012 - ACS Publications
The exact structure and properties of the Si| SiO2 interface are very important in
microelectronics and photovoltaic devices such as metal-oxide-semiconductor field-effect …

Reactive molecular dynamics simulations on SiO 2-coated ultra-small Si-nanowires

U Khalilov, G Pourtois, A Bogaerts, ACT Van Duin… - Nanoscale, 2013 - pubs.rsc.org
The application of core–shell Si–SiO2 nanowires as nanoelectronic devices strongly
depends on their structure, which is difficult to tune precisely. In this work, we investigate the …

Estimating Kapitza Resistance Between Interface Using Molecular Dynamics Simulations

SS Mahajan, G Subbarayan… - IEEE Transactions on …, 2011 - ieeexplore.ieee.org
The interface between nano-scale films is of relevance in many critical applications.
Specifically, recent technological advances in semiconductor industry that utilize silicon-on …

Density functional theory calculations of the stress of oxidised (1 1 0) silicon surfaces

C Melis, S Giordano, L Colombo, G Mana - Metrologia, 2016 - iopscience.iop.org
The measurement of the lattice-parameter of silicon by x-ray interferometry assumes the use
of strain-free crystals. This might not be the case because surface relaxation, reconstruction …

Lattice strain at c-Si surfaces: a density functional theory calculation

C Melis, L Colombo, G Mana - Metrologia, 2015 - iopscience.iop.org
The measurement of the Avogadro constant by counting Si atoms is based on the
assumption that Si balls of about 94 mm diameter have a perfect crystal structure up to the …