<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="6.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Mercer, J. L.</style></author><author><style face="normal" font="default" size="100%">Chou, M. Y.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">TIGHT-BINDING TOTAL ENERGY MODELS FOR SILICON AND GERMANIUM</style></title><secondary-title><style face="normal" font="default" size="100%">Physical Review B</style></secondary-title><alt-title><style face="normal" font="default" size="100%">Phys. Rev. B</style></alt-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">BOND LENGTH</style></keyword><keyword><style  face="normal" font="default" size="100%">BULK PHASES</style></keyword><keyword><style  face="normal" font="default" size="100%">CLUSTERS</style></keyword><keyword><style  face="normal" font="default" size="100%">COVALENT</style></keyword><keyword><style  face="normal" font="default" size="100%">GROUND-STATE</style></keyword><keyword><style  face="normal" font="default" size="100%">INTERATOMIC FORCE-FIELDS</style></keyword><keyword><style  face="normal" font="default" size="100%">MOLECULAR-DYNAMICS</style></keyword><keyword><style  face="normal" font="default" size="100%">SI</style></keyword><keyword><style  face="normal" font="default" size="100%">STRUCTURAL-PROPERTIES</style></keyword><keyword><style  face="normal" font="default" size="100%">SURFACES</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">1993</style></year><pub-dates><date><style  face="normal" font="default" size="100%">Apr</style></date></pub-dates></dates><urls><web-urls><url><style face="normal" font="default" size="100%">&lt;Go to ISI&gt;://WOS:A1993KZ50800025</style></url></web-urls></urls><number><style face="normal" font="default" size="100%">15</style></number><volume><style face="normal" font="default" size="100%">47</style></volume><pages><style face="normal" font="default" size="100%">9366-9376</style></pages><isbn><style face="normal" font="default" size="100%">0163-1829</style></isbn><language><style face="normal" font="default" size="100%">English</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;By accurately fitting tight-binding parameters to ab initio band structures from 14 different tetrahedral volumes, tight-binding parametric formulas have been developed for silicon and germanium. The distance dependences for these orthogonal, nearest-neighbor parameters range from r-2.5 to r-3.3. Repulsive potentials are added in order to reproduce the total energies for a number of bulk structures. It is found that the repulsive potential needed has the simple form of a pairwise interaction multiplied by a structure-dependent constant. Transferability is shown with good bulk and cluster results.&lt;/p&gt;
</style></abstract><work-type><style face="normal" font="default" size="100%">Article</style></work-type><accession-num><style face="normal" font="default" size="100%">WOS:A1993KZ50800025</style></accession-num><notes><style face="normal" font="default" size="100%">&lt;p&gt;ISI Document Delivery No.: KZ508Times Cited: 47Cited Reference Count: 70Cited References:      BALAMANE H, 1992, PHYS REV B, V46, P2250, DOI 10.1103/PhysRevB.46.2250     BROMMER KD, 1992, PHYS REV LETT, V68, P1355, DOI 10.1103/PhysRevLett.68.1355     DIXON DA, 1992, CHEM PHYS LETT, V188, P560, DOI 10.1016/0009-2614(92)80866-A     BOYER LL, 1991, PHYS REV LETT, V67, P715, DOI 10.1103/PhysRevLett.67.715     KOHYAMA M, 1991, J PHYS-CONDENS MAT, V3, P2193, DOI 10.1088/0953-8984/3/13/022     WANG CZ, 1991, PHYS REV LETT, V66, P189, DOI 10.1103/PhysRevLett.66.189     BOLDING BC, 1990, PHYS REV B, V41, P10568, DOI 10.1103/PhysRevB.41.10568     CHELIKOWSKY JR, 1990, PHYS REV B, V41, P5735, DOI 10.1103/PhysRevB.41.5735     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</style></notes><auth-address><style face="normal" font="default" size="100%">MERCER, JL (reprint author), GEORGIA INST TECHNOL,SCH PHYS,ATLANTA,GA 30332, USA</style></auth-address></record></records></xml>