@article {1369,
	title = {ABINITIO CALCULATION OF FORCE-CONSTANTS AND FULL PHONON DISPERSIONS},
	journal = {Physical Review Letters},
	volume = {69},
	number = {19},
	year = {1992},
	note = {<p>ISI Document Delivery No.: JX245Times Cited: 91Cited Reference Count: 25Cited References:      MOLINARI E, 1992, PHYS REV B, V45, P4280, DOI 10.1103/PhysRevB.45.4280     TROULLIER N, 1991, PHYS REV B, V43, P1993, DOI 10.1103/PhysRevB.43.1993     BARONI S, 1990, PHYS REV LETT, V65, P84, DOI 10.1103/PhysRevLett.65.84     FASCOLINO A, 1990, PHYS REV B, V41, P8302     MAZUR A, 1989, PHYS REV B, V39, P5261, DOI 10.1103/PhysRevB.39.5261     SRIVASTAVA GP, 1988, J PHYS C SOLID STATE, V21, P5087, DOI 10.1088/0022-3719/21/29/007     BARONI S, 1987, PHYS REV LETT, V58, P1861, DOI 10.1103/PhysRevLett.58.1861     DEVREESE JT, 1985, ELECTRONIC STRUCTURE     KUNC K, 1985, PHYS REV B, V32, P2010, DOI 10.1103/PhysRevB.32.2010     BRUESCH P, 1982, PHONON THEORY EXPT     KUNC K, 1982, PHYS REV LETT, V8, P406     YIN MT, 1982, PHYS REV B, V25, P4317, DOI 10.1103/PhysRevB.25.4317     PERDEW JP, 1981, PHYS REV B, V23, P5048, DOI 10.1103/PhysRevB.23.5048     CEPERLEY DM, 1980, PHYS REV LETT, V45, P566, DOI 10.1103/PhysRevLett.45.566     YIN MT, 1980, PHYS REV LETT, V45, P1004, DOI 10.1103/PhysRevLett.45.1004     IHM J, 1979, J PHYS C SOLID STATE, V12, P4409, DOI 10.1088/0022-3719/12/21/009     ASHCROFT NW, 1976, SOLID STATE PHYS, P421     SHAM LJ, 1974, DYNAMICAL PROPERTIES, P301     SINHA SK, 1973, CRC CRIT R SOLID ST, V3, P273     NILSSON G, 1972, PHYS REV B, V6, P3777, DOI 10.1103/PhysRevB.6.3777     SLATER JC, 1972, J CHEM PHYS, V57, P2389, DOI 10.1063/1.1678599     DOLLING G, 1963, INELASTIC SCATTERING, V2, P37     HERMAN F, 1959, J PHYS CHEM SOLIDS, V8, P405, DOI 10.1016/0022-3697(59)90376-2     Feynman RP, 1939, PHYS REV, V56, P340, DOI 10.1103/PhysRev.56.340     QUONG AA, UNPUBWEI, SQ CHOU, MYAMERICAN PHYSICAL SOCCOLLEGE PK</p>
},
	month = {Nov},
	pages = {2799-2802},
	type = {Article},
	abstract = {<p>We present a method to calculate the full phonon spectrum using the local-density approximation and Hellmann-Feynman forces. By a limited number of supercell calculations of the planar force constants, the interatomic force constant matrices are determined. One can then construct the dynamical matrix for any arbitrary wave vector in the Brillouin zone. We describe in detail the procedure for elements in the diamond structure and derive the phonon dispersion curves for Si. The anharmonic effects can also be studied by the present method.</p>
},
	keywords = {GERMANIUM, LATTICE-DYNAMICS, SI, SOLIDS},
	isbn = {0031-9007},
	url = {<Go to ISI>://WOS:A1992JX24500017},
	author = {Wei, S. Q. and Chou, M. Y.}
}
