Interatomic potential for silicon clusters, crystals, and surfaces Export

@article{citeulike:1811036, abstract = {We have developed an interatomic potential suitable for the modeling of silicon in a wide range of bonding environments. The potential is of the general form developed by Tersoff; with the interaction between a pair of atoms being dependent on the environment of the pair. The atom-atom potential-energy function is expressed as a sum of π- and σ-bonding terms; each independently influenced by the environment. The functional form of the potential and the parameters in the potential were chosen to fit a variety of data on silicon; including the structure and energy of small clusters of 2–10 atoms; the crystal structures; the elastic constants of the diamond-lattice phase; and some surface properties. We present the results of using this potential to model small clusters (2–10 atoms); crystal phases; point defects in the diamond lattice; the 2×1 reconstructions of the Si(100) and Si(111) surfaces; and the 7×7 reconstruction of Si(111). Our present potential is compared in detail to other potentials that have been developed to model the properties of silicon.}, author = {Bolding, Barry C. and Andersen, Hans C.}, citeulike-article-id = {1811036}, citeulike-linkout-0 = {http://dx.doi.org/10.1103/PhysRevB.41.10568}, citeulike-linkout-1 = {http://link.aps.org/abstract/PRB/v41/i15/p10568_1}, citeulike-linkout-2 = {http://link.aps.org/pdf/PRB/v41/i15/p10568_1}, day = {15}, doi = {10.1103/PhysRevB.41.10568}, journal = {Physical Review B}, keywords = {anderson, bolding, silicon}, month = {May}, number = {15}, pages = {10568+}, posted-at = {2007-10-23 15:56:13}, priority = {2}, publisher = {American Physical Society}, title = {Interatomic potential for silicon clusters, crystals, and surfaces}, url = {http://dx.doi.org/10.1103/PhysRevB.41.10568}, volume = {41}, year = {1990} }

TY - JOUR ID - citeulike:1811036 L3 - citeulike-article-id:1811036 N2 - We have developed an interatomic potential suitable for the modeling of silicon in a wide range of bonding environments. The potential is of the general form developed by Tersoff; with the interaction between a pair of atoms being dependent on the environment of the pair. The atom-atom potential-energy function is expressed as a sum of π- and σ-bonding terms; each independently influenced by the environment. The functional form of the potential and the parameters in the potential were chosen to fit a variety of data on silicon; including the structure and energy of small clusters of 2–10 atoms; the crystal structures; the elastic constants of the diamond-lattice phase; and some surface properties. We present the results of using this potential to model small clusters (2–10 atoms); crystal phases; point defects in the diamond lattice; the 2×1 reconstructions of the Si(100) and Si(111) surfaces; and the 7×7 reconstruction of Si(111). Our present potential is compared in detail to other potentials that have been developed to model the properties of silicon. IS - 15 JF - Physical Review B TI - Interatomic potential for silicon clusters, crystals, and surfaces PB - American Physical Society VL - 41 SP - 10568 KW - anderson KW - bolding KW - silicon AU - Bolding, Barry AU - Andersen, Hans PY - 1990/05/15/ UR - http://dx.doi.org/10.1103/PhysRevB.41.10568 ER -