@article {1377,
	title = {TIGHT-BINDING MODEL WITH INTRA-ATOMIC MATRIX-ELEMENTS},
	journal = {Physical Review B},
	volume = {49},
	number = {12},
	year = {1994},
	note = {<p>ISI Document Delivery No.: NG116Times Cited: 49Cited Reference Count: 31Cited References:      MERCER JL, 1993, PHYS REV B, V47, P9366, DOI 10.1103/PhysRevB.47.9366     SIGQALAS M, 1993, MATERIALS THEORY MOD, V291, P27     BOYER LL, 1991, PHYS REV LETT, V67, P715, DOI 10.1103/PhysRevLett.67.715     SAWADA S, 1990, VACUUM, V41, P612, DOI 10.1016/0042-207X(90)90432-X     SANKEY OF, 1989, PHYS REV B, V40, P3979, DOI 10.1103/PhysRevB.40.3979     WANG CZ, 1989, PHYS REV B, V40, P3390, DOI 10.1103/PhysRevB.40.3390     GOODWIN L, 1989, EUROPHYS LETT, V9, P701, DOI 10.1209/0295-5075/9/7/015     WANG CZ, 1989, PHYS REV B, V39, P8586, DOI 10.1103/PhysRevB.39.8586     TOMANEK D, 1989, PHYS REV B, V39, P5361, DOI 10.1103/PhysRevB.39.5361     KHAN FS, 1989, PHYS REV B, V39, P3688, DOI 10.1103/PhysRevB.39.3688     CHADI DJ, 1989, ATOMISTIC SIMULATION     FOULKES WMC, 1989, PHYS REV B, V39, P12520, DOI 10.1103/PhysRevB.39.12520     SUTTON AP, 1988, J PHYS C SOLID STATE, V21, P35, DOI 10.1088/0022-3719/21/1/007     ALLEN PB, 1987, J PHYS CHEM-US, V91, P4964, DOI 10.1021/j100303a015     ALERHAND OL, 1987, PHYS REV LETT, V59, P657, DOI 10.1103/PhysRevLett.59.657     TOMANEK D, 1987, PHYS REV B, V36, P1208, DOI 10.1103/PhysRevB.36.1208     ALERHAND OL, 1987, PHYS REV B, V35, P5533, DOI 10.1103/PhysRevB.35.5533     QIAN GX, 1987, PHYS REV B, V35, P1288, DOI 10.1103/PhysRevB.35.1288     VANSCHILFGAARDE M, 1986, PHYS REV B, V33, P2653, DOI 10.1103/PhysRevB.33.2653     NEILSEN OH, 1985, PHYS REV B, V32, P3792     CHADI DJ, 1984, PHYS REV B, V29, P785, DOI 10.1103/PhysRevB.29.785     YIN MT, 1984, PHYS REV B, V30, P1773, DOI 10.1103/PhysRevB.30.1773     YIN MT, 1982, PHYS REV B, V26, P3259, DOI 10.1103/PhysRevB.26.3259     BULLETT DW, 1980, SOLID STATE PHYSICS, V35     KELLY MJ, 1980, SOLID STATE PHYSICS, V35     CHADI DJ, 1979, J VAC SCI TECHNOL, V16, P1290, DOI 10.1116/1.570143     CHADI DJ, 1979, PHYS REV B, V19, P2074, DOI 10.1103/PhysRevB.19.2074     CHADI DJ, 1977, PHYS REV B, V16, P790, DOI 10.1103/PhysRevB.16.790     SLATER JC, 1954, PHYS REV, V94, P1498, DOI 10.1103/PhysRev.94.1498     BISWAS R, COMMUNICATION     CHADI DJ, COMMUNICATIONMERCER, JL CHOU, MYAMERICAN PHYSICAL SOCCOLLEGE PK</p>
},
	month = {Mar},
	pages = {8506-8509},
	type = {Note},
	abstract = {<p>We present a tight-binding model for silicon which incorporates two-center intra-atomic parameters. The model is fitted to density-functional theory band structures for silicon in the diamond structure over a number of volumes. It is shown that with only a two-center, orthogonal basis, reasonable total energies can be obtained for many different structures. Thus it eliminates the need to use structure-dependent terms in the total-energy model.</p>
},
	keywords = {BOND, CLUSTERS, COVALENT, MOLECULAR-DYNAMICS, SEMICONDUCTORS, SI, Silicon, SIMULATION, SURFACES},
	isbn = {0163-1829},
	url = {<Go to ISI>://WOS:A1994NG11600080},
	author = {Mercer, J. L. and Chou, M. Y.}
}
