Matches in SemOpenAlex for { <https://semopenalex.org/work/W2092040794> ?p ?o ?g. }
- W2092040794 endingPage "389" @default.
- W2092040794 startingPage "357" @default.
- W2092040794 abstract "This paper reviews recent Monte Carlo simulations within the empirical potential approach, which give insights into fundamental aspects of the bulk and surface structure of group-IV semiconductor alloys containing carbon. We focus on the binary Si 1-x C x and ternary Si 1-x-y Ge x C y alloys strained on silicon substrates. The statistical treatment of these highly strained alloys is made possible by using the semigrand canonical ensemble. We describe here improvements in the algorithm which considerably speed up the method. We show that the identity switches, which are the basic ingredients in this statistical ensemble, must be accompanied by appropriate relaxations of nearest neighbors in order to reach quasiequilibrium in metastable systems with large size mismatch between the constituent atoms. This effectively lowers the high formation energies and large barriers for diffusion which make molecular dynamics methods impractical for this problem. The most important findings of our studies are: (a) The prediction of a repulsive Ge–C interaction and of a preferential C–C interaction in the lattice. (b) The prediction for significant deviations of the structural parameters and of the elastic constants from linearly interpolated values (Vegard's law). As a result, for a given amount of carbon, strain compensation is shown to be more drastic than previously thought. (c) Investigation of the surface problem shows that the competition between the reconstruction strain field and the preferential arrangement of carbon atoms leads to new complicated structural patterns." @default.
- W2092040794 created "2016-06-24" @default.
- W2092040794 creator A5058587431 @default.
- W2092040794 date "1998-03-01" @default.
- W2092040794 modified "2023-09-24" @default.
- W2092040794 title "Simulations of Carbon Containing Semiconductor Alloys: Bonding, Strain Compensation, and Surface Structure" @default.
- W2092040794 cites W1498463636 @default.
- W2092040794 cites W1512740714 @default.
- W2092040794 cites W1584133500 @default.
- W2092040794 cites W1617009105 @default.
- W2092040794 cites W1647935639 @default.
- W2092040794 cites W1967287101 @default.
- W2092040794 cites W1971449468 @default.
- W2092040794 cites W1972346684 @default.
- W2092040794 cites W1972445453 @default.
- W2092040794 cites W1973169654 @default.
- W2092040794 cites W1976347347 @default.
- W2092040794 cites W1977356890 @default.
- W2092040794 cites W1985131633 @default.
- W2092040794 cites W1985420555 @default.
- W2092040794 cites W1986092748 @default.
- W2092040794 cites W1987766175 @default.
- W2092040794 cites W1987932374 @default.
- W2092040794 cites W1990477890 @default.
- W2092040794 cites W1992753351 @default.
- W2092040794 cites W1995212405 @default.
- W2092040794 cites W1997101683 @default.
- W2092040794 cites W1997223815 @default.
- W2092040794 cites W1998643254 @default.
- W2092040794 cites W1998761683 @default.
- W2092040794 cites W1998884371 @default.
- W2092040794 cites W1999342366 @default.
- W2092040794 cites W2001330951 @default.
- W2092040794 cites W2001567980 @default.
- W2092040794 cites W2003389724 @default.
- W2092040794 cites W2018501497 @default.
- W2092040794 cites W2023944551 @default.
- W2092040794 cites W2024194809 @default.
- W2092040794 cites W2025398963 @default.
- W2092040794 cites W2027032057 @default.
- W2092040794 cites W2027240692 @default.
- W2092040794 cites W2027757441 @default.
- W2092040794 cites W2028204093 @default.
- W2092040794 cites W2030976617 @default.
- W2092040794 cites W2031975877 @default.
- W2092040794 cites W2032404367 @default.
- W2092040794 cites W2033012628 @default.
- W2092040794 cites W2033187512 @default.
- W2092040794 cites W2034982525 @default.
- W2092040794 cites W2035641974 @default.
- W2092040794 cites W2037782625 @default.
- W2092040794 cites W2038804379 @default.
- W2092040794 cites W2039600379 @default.
- W2092040794 cites W2046001409 @default.
- W2092040794 cites W2046726884 @default.
- W2092040794 cites W2047138061 @default.
- W2092040794 cites W2051045101 @default.
- W2092040794 cites W2054086800 @default.
- W2092040794 cites W2055992539 @default.
- W2092040794 cites W2056760934 @default.
- W2092040794 cites W2058304181 @default.
- W2092040794 cites W2058431396 @default.
- W2092040794 cites W2058759877 @default.
- W2092040794 cites W2061590962 @default.
- W2092040794 cites W2062004204 @default.
- W2092040794 cites W2062346361 @default.
- W2092040794 cites W2062469618 @default.
- W2092040794 cites W2065197094 @default.
- W2092040794 cites W2065699264 @default.
- W2092040794 cites W2066555637 @default.
- W2092040794 cites W2066901269 @default.
- W2092040794 cites W2068796894 @default.
- W2092040794 cites W2074119956 @default.
- W2092040794 cites W2075544819 @default.
- W2092040794 cites W2076343339 @default.
- W2092040794 cites W2076858582 @default.
- W2092040794 cites W2077865707 @default.
- W2092040794 cites W2079100741 @default.
- W2092040794 cites W2081109887 @default.
- W2092040794 cites W2083477877 @default.
- W2092040794 cites W2087879413 @default.
- W2092040794 cites W2088274609 @default.
- W2092040794 cites W2089920335 @default.
- W2092040794 cites W2118007856 @default.
- W2092040794 cites W2415374455 @default.
- W2092040794 cites W2124191860 @default.
- W2092040794 doi "https://doi.org/10.1142/s0129183198000285" @default.
- W2092040794 hasPublicationYear "1998" @default.
- W2092040794 type Work @default.
- W2092040794 sameAs 2092040794 @default.
- W2092040794 citedByCount "32" @default.
- W2092040794 countsByYear W20920407942013 @default.
- W2092040794 countsByYear W20920407942014 @default.
- W2092040794 countsByYear W20920407942016 @default.
- W2092040794 crossrefType "journal-article" @default.
- W2092040794 hasAuthorship W2092040794A5058587431 @default.
- W2092040794 hasConcept C108225325 @default.
- W2092040794 hasConcept C121332964 @default.