HALICIOGLI: (a), H. 0. PAMUK (b), and S. KRKOC (c) Various model potentials comprising two-a.nd three-body interactions are analyzed comparatively. In this study Tersoff (T), Tcrsoff-Dodson (TD), Stillinger-Wcbcr (SW), and Pearson-Takai-Httlicioglu-'l'illcr (P'I'HT) potentials are included and their capabilities in reproducing various bulk, surface, and small cluster properties of silicon are investigated. For a proper comparison properties of small Si clusters arc also calculated in this work using the PTHT function. Applicability and limitations of each potential are delineated and discussed. In general, structural propcrtics calculated by these functions are found t.o be in better agreement with experiments than corresponding energy-related properties. Verschicdene Modellpotentialc fur Zwei-und Drei-Kiirpcrwcchselwirkungen werdcn im Vcrgleich analysicrt. Einguschlossen sind Tersoff (T)-, Tersoff-Dodson (TL))-, Stillinger-Webcr (SW)-und Poarson-Tskili-Halicioglu-Tiller (PTHT)-Potentialr und ihre Piihigkeit, verschiedenc Volumen-, Obcrfliichcn-und Clustereigenschaften von Silizium zu reproduzicrcn, werden untersucht. Fur eincn cxakten Vergleich werdcn die Eigenschaften von klcincn Silizium-Clnstern mit dcr PTHT-Funktion berechnet. Anwendbarkeit und Grenzen jeden Potentials werden aufgczeichnet und diskutiert. I m allgcmeinen wird gcfundcn, daB dic mit diesen Funktionen bereclineten Gtruktureigenschaften mit dcri Experimentcn bcsser ubcrcinstimmcn als entsprechende energieverknupfte Eigcnschaften.
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