References
- Donohue , J. 1974 . “The structures of the elements” , New York : Wiley . Chapter 9
- Steudel , R. and Strauss , E.-M. 1984 . “Homocyclic selenium molecules and related cations” . Advan. Inorg. Chem. Radiochem. , 28 : 135
- Tanaka , K. 1986 . “Configurational and structural models for photodarkening in glassy chalcogenides” . Jpn. J. Appl. Phys. , 25 : 779
- Nagels , P. , Sleeckx , E. , Callaerts , R. and Tichy , L. 1995 . “Structural and optical properties of amorphous selenium prepared by plasma-enhanced CVD” . Solid State Comm. , 94 : 49
- Wong , C. K. , Luvovsky , G. and Bernholc , J. 1987 . “Intrinsic localized defect states in a-Se associated with dihedral angle distortions” . J. Non-Cryst. Solids , 97 and 98 : 1171
- Andersen , O. K. 1975 . “Linear methods in band theory” . Phys. Rev. , B12 : 3060
- Singh , D. J. 1994 . “Planewaves, Pseudopotentials and the LAPW method” , Boston, Dordrecht, London : Kluwer Academic Publishers .
- Uehara , K. , Ishitobi , M. , Oda , T. and Hiwatari , Y. “First-principles molecular dynamics calculation of selenium clusters” . Mol. Sim. , (in press)
- Arias , T. A. , Payne , M. C. and Joannopoulos , J. D. 1991 . “Ab initio molecular-dynamics techniques extended to large-length-scale systems” . Phys. Rev. , B45 : 1538
- Teter , M. P. , Payne , M. C. and Allan , D. C. 1991 . “Solution of Schrödinger' equation for large systems” . Phys. Rev. , B40 : 12255
- Gu , Bing-Lin , Maruyama , Yutaka , Yu , Jing-Zhi , Ohno , Kaoru and Kawazoe , Yoshiyuki . 1994 . “Effects of molecular orientation on the electronic structure of fcc C60” . Phys. Rev. , B49 : 16202
- Press , W. H. , Teukolsky , S. A. , Vetterling , W. T. and Flannery , B. P. 1992 . “Numerical recipes in FORTRAN: the art of scientific computing” , New York : Cambridge University press .
- Lundqvist , S. and March , N. H. 1983 . “Theory of the Inhomogeneous Electron Gas” , New York : Plenum .
- Jones , R. O. and Gunnarsson , O. 1989 . “The density functional formalism, its applications and prospects” . Rev. Mod. Phys. , 61 : 689
- von Barth , U. and Hedin , L. 1972 . “A local exchange-correlation potential for the spin polarized case: I” . J. Phys. , C5 : 1629
- Yu , R. , Singh , D. and Krakauer , H. 1990 . “All-electron and pseudopotential force calculations using the linearlized-augmented-plane-wave method” . Phys. Rev. , B43 : 6411
- Cherin , P. and Unger , P. 1972 . “Refinement of the crystal structure of α-monoclinic Se” . Acta Cryst. , B28 : 313
- Hohl , D. and Jones , R. O. 1987 . “The structure of selenium clusters – Se3 to Se8” . Chem. Phys. Lett. , 139 : 540
- Margl , P. , Schwarz , K. and Blöchl , P. E. 1994 . “Finite-temperature characterization of ferrocene from first-principles molecular dynamics simulations” . J. Chem. Phys. , 100 : 8194
- Lucovsky , G. , Moordian , A. , Taylor , W. , Wright , G. B. and Keezer , R. C. 1967 . “Identification of the fundamental vibrational modes of trigonal, α-monoclinic and amorphous selenium” . Solid State Comm. , 5 : 113
- Nagata , K. , Ishibashi , K. and Miyamoto , Y. 1981 . “Raman and infrared spectra of rhombohedral selenium” . Jpn. J. Appl. Phys. , 20 : 463
- Vanderbilt , D. and Joannopoulos , J. D. 1980 . “Theory of defect states in glassy selenium” . Phys. Rev. , B22 : 2927