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- W2017407416 abstract "Computational studies of atomic assembly processes during GaAs vapor deposition require interatomic potentials that are able to reasonably predict the structures and energies of a molecular arsenic vapor, a variety of elemental gallium and arsenic lattices, binary GaAs lattices, GaAs lattice defects, and (001) GaAs surfaces. These properties were systematically evaluated and compared to ab initio and experimental data for one Tersoff and two Stillinger-Weber (SW) GaAs interatomic potentials. It was observed that bulk and arsenic molecular properties calculated by the Tersoff parametrization matched density functional predictions and experimental observations significantly better than either of the SW parametrizations. These trends can be related to the bonding physics included in each potential format. Surface free energy calculations indicate that none of these potentials correctly predict the low-energy surface reconstructions of the GaAs (001) surface. Simulated ${mathrm{As}}_{2}$ molecular bonding with gallium-rich GaAs (001) surfaces indicate a high sticking probability for SW potentials, which is in good agreement with experimental observations at low growth temperatures. However, the Tersoff parametrization resulted in an unphysically high desorption probability for ${mathrm{As}}_{2}$ over a wide range of surface temperatures." @default.
- W2017407416 created "2016-06-24" @default.
- W2017407416 creator A5030540097 @default.
- W2017407416 creator A5052725161 @default.
- W2017407416 creator A5079166790 @default.
- W2017407416 date "2005-11-30" @default.
- W2017407416 modified "2023-10-16" @default.
- W2017407416 title "Assessment of interatomic potentials for molecular dynamics simulations of GaAs deposition" @default.
- W2017407416 cites W1481144145 @default.
- W2017407416 cites W1520120563 @default.
- W2017407416 cites W1549427706 @default.
- W2017407416 cites W1646918060 @default.
- W2017407416 cites W1963949411 @default.
- W2017407416 cites W1964967485 @default.
- W2017407416 cites W1965795351 @default.
- W2017407416 cites W1967779367 @default.
- W2017407416 cites W1967866167 @default.
- W2017407416 cites W1969022408 @default.
- W2017407416 cites W1972149365 @default.
- W2017407416 cites W1974185670 @default.
- W2017407416 cites W1975157420 @default.
- W2017407416 cites W1976679893 @default.
- W2017407416 cites W1976996098 @default.
- W2017407416 cites W1978207816 @default.
- W2017407416 cites W1980075347 @default.
- W2017407416 cites W1981049088 @default.
- W2017407416 cites W1981150198 @default.
- W2017407416 cites W1982097548 @default.
- W2017407416 cites W1983912717 @default.
- W2017407416 cites W1984440420 @default.
- W2017407416 cites W1987299882 @default.
- W2017407416 cites W1987466429 @default.
- W2017407416 cites W1990393409 @default.
- W2017407416 cites W1991388146 @default.
- W2017407416 cites W1996078486 @default.
- W2017407416 cites W1996686931 @default.
- W2017407416 cites W1996829835 @default.
- W2017407416 cites W1996841058 @default.
- W2017407416 cites W1998567149 @default.
- W2017407416 cites W1998897349 @default.
- W2017407416 cites W1999145580 @default.
- W2017407416 cites W2001279133 @default.
- W2017407416 cites W2002973186 @default.
- W2017407416 cites W2004032051 @default.
- W2017407416 cites W2005209403 @default.
- W2017407416 cites W2008260265 @default.
- W2017407416 cites W2008273321 @default.
- W2017407416 cites W2009316752 @default.
- W2017407416 cites W2009910619 @default.
- W2017407416 cites W2010202396 @default.
- W2017407416 cites W2012336156 @default.
- W2017407416 cites W2016131164 @default.
- W2017407416 cites W2016197031 @default.
- W2017407416 cites W2016641139 @default.
- W2017407416 cites W2017104823 @default.
- W2017407416 cites W2020387065 @default.
- W2017407416 cites W2022298832 @default.
- W2017407416 cites W2023616054 @default.
- W2017407416 cites W2026844798 @default.
- W2017407416 cites W2027197855 @default.
- W2017407416 cites W2029717848 @default.
- W2017407416 cites W2031971910 @default.
- W2017407416 cites W2033086537 @default.
- W2017407416 cites W2034210026 @default.
- W2017407416 cites W2034318067 @default.
- W2017407416 cites W2037266495 @default.
- W2017407416 cites W2037743515 @default.
- W2017407416 cites W2037782625 @default.
- W2017407416 cites W2038201676 @default.
- W2017407416 cites W2039639250 @default.
- W2017407416 cites W2039757001 @default.
- W2017407416 cites W2039818886 @default.
- W2017407416 cites W2043832576 @default.
- W2017407416 cites W2046002177 @default.
- W2017407416 cites W2046131489 @default.
- W2017407416 cites W2051347461 @default.
- W2017407416 cites W2056879299 @default.
- W2017407416 cites W2057729119 @default.
- W2017407416 cites W2060765046 @default.
- W2017407416 cites W2062765612 @default.
- W2017407416 cites W2066014501 @default.
- W2017407416 cites W2068038773 @default.
- W2017407416 cites W2068191335 @default.
- W2017407416 cites W2069429207 @default.
- W2017407416 cites W2070105548 @default.
- W2017407416 cites W2073883515 @default.
- W2017407416 cites W2074865604 @default.
- W2017407416 cites W2075056370 @default.
- W2017407416 cites W2080397751 @default.
- W2017407416 cites W2082009260 @default.
- W2017407416 cites W2082144555 @default.
- W2017407416 cites W2083295778 @default.
- W2017407416 cites W2084107785 @default.
- W2017407416 cites W2085688023 @default.
- W2017407416 cites W2087226132 @default.
- W2017407416 cites W2088274609 @default.
- W2017407416 cites W2089500378 @default.
- W2017407416 cites W2090908678 @default.
- W2017407416 cites W2091426904 @default.
- W2017407416 cites W2091780235 @default.