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- W2059295501 endingPage "6100" @default.
- W2059295501 startingPage "6085" @default.
- W2059295501 abstract "Semiempirical potentials for silicon, germanium, and their alloys are derived with use of the modified-embedded-atom-method formalism. Following Baskes [Phys. Rev. Lett. 59, 2666 (1987)], it is found that the host electron density which is a linear superposition of atomic densities in the embedded-atom method (EAM) must have an angular modification in order to properly describe the bond-bending forces in the diamond-cubic structure. The angular dependence of this host electron density was found to be in qualitative agreement with the density of a first-principles calculation. As in the EAM, the potential functions are determined by using the measured lattice constants, sublimation energies, elastic constants, and alloying energies of silicon and germanium. In addition, first-principles calculations of structural energies are used. The potentials are used to calculate the energetics and geometrics of point defects, surfaces, metastable structures, and small clusters. In all cases, the calculations have been compared to first-principles calculations and experiment when available. The calculations predict that the vacancy mechanism is the dominant diffusion mechanism in both silicon and germanium. Surface energies and relaxations of the low-index faces of Si and Ge are compared with first-principles calculations." @default.
- W2059295501 created "2016-06-24" @default.
- W2059295501 creator A5060274543 @default.
- W2059295501 creator A5064031032 @default.
- W2059295501 creator A5089705928 @default.
- W2059295501 date "1989-09-15" @default.
- W2059295501 modified "2023-10-14" @default.
- W2059295501 title "Semiempirical modified embedded-atom potentials for silicon and germanium" @default.
- W2059295501 cites W1963989017 @default.
- W2059295501 cites W1964440150 @default.
- W2059295501 cites W1965633210 @default.
- W2059295501 cites W1967945586 @default.
- W2059295501 cites W1968530028 @default.
- W2059295501 cites W1972382242 @default.
- W2059295501 cites W1974664861 @default.
- W2059295501 cites W1977230706 @default.
- W2059295501 cites W1979471079 @default.
- W2059295501 cites W1980539178 @default.
- W2059295501 cites W1985555417 @default.
- W2059295501 cites W1986229084 @default.
- W2059295501 cites W1986420611 @default.
- W2059295501 cites W1986633324 @default.
- W2059295501 cites W1992753351 @default.
- W2059295501 cites W1996841058 @default.
- W2059295501 cites W1999747406 @default.
- W2059295501 cites W2000726168 @default.
- W2059295501 cites W2001265227 @default.
- W2059295501 cites W2002796843 @default.
- W2059295501 cites W2011267892 @default.
- W2059295501 cites W2014649395 @default.
- W2059295501 cites W2018501497 @default.
- W2059295501 cites W2020983705 @default.
- W2059295501 cites W2023306268 @default.
- W2059295501 cites W2027352463 @default.
- W2059295501 cites W2028204093 @default.
- W2059295501 cites W2028748051 @default.
- W2059295501 cites W2031818906 @default.
- W2059295501 cites W2033086537 @default.
- W2059295501 cites W2033517714 @default.
- W2059295501 cites W2034485258 @default.
- W2059295501 cites W2035699096 @default.
- W2059295501 cites W2036519474 @default.
- W2059295501 cites W2037782625 @default.
- W2059295501 cites W2038201676 @default.
- W2059295501 cites W2038318897 @default.
- W2059295501 cites W2039959185 @default.
- W2059295501 cites W2040324344 @default.
- W2059295501 cites W2042398722 @default.
- W2059295501 cites W2043209824 @default.
- W2059295501 cites W2044088672 @default.
- W2059295501 cites W2044266337 @default.
- W2059295501 cites W2044302868 @default.
- W2059295501 cites W2045610372 @default.
- W2059295501 cites W2046231727 @default.
- W2059295501 cites W2046325281 @default.
- W2059295501 cites W2046959174 @default.
- W2059295501 cites W2049544639 @default.
- W2059295501 cites W2049635189 @default.
- W2059295501 cites W2050078532 @default.
- W2059295501 cites W2050086101 @default.
- W2059295501 cites W2054060059 @default.
- W2059295501 cites W2058853966 @default.
- W2059295501 cites W2064817143 @default.
- W2059295501 cites W2065842309 @default.
- W2059295501 cites W2070294417 @default.
- W2059295501 cites W2074045165 @default.
- W2059295501 cites W2075263387 @default.
- W2059295501 cites W2078515179 @default.
- W2059295501 cites W2080394256 @default.
- W2059295501 cites W2083433324 @default.
- W2059295501 cites W2086085976 @default.
- W2059295501 cites W2086128526 @default.
- W2059295501 cites W2086728875 @default.
- W2059295501 cites W2094500482 @default.
- W2059295501 cites W2139337699 @default.
- W2059295501 cites W2147415793 @default.
- W2059295501 cites W2415374455 @default.
- W2059295501 cites W2943396439 @default.
- W2059295501 cites W4235101871 @default.
- W2059295501 cites W2051170750 @default.
- W2059295501 doi "https://doi.org/10.1103/physrevb.40.6085" @default.
- W2059295501 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/9992676" @default.
- W2059295501 hasPublicationYear "1989" @default.
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