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Thin layers of gallium-arsenide: A molecular orbital study |
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| Authors: | R Boča I Benkovský L Benco |
| Institution: | (1) Department of Inorganic Chemistry, Slovak Technical University, Radlinského 9, 812 37 Bratislava,  SFR;(2) Department of Microelectronics, Slovak Technical University, Mlynská dolina, 812 19 Bratislava, SFR;(3) Institute of Inorganic Chemistry, Slovak Acad. Sci., Dúbravská cesta, 842 35 Bratislava, SFR |
| Abstract: | The quasirelativistic INDO/1 method has been used to generate molecular orbitals for some {GaAs}n clusters up to 160 atoms. On the basis of these one-electron energy levels the density of states (DOS) and density of hole functions have been calculated. Various projections of DOS functions are discussed. The calculations are compared with those generated by periodic crystal orbitals of the EHT quality and with experimental ESCA spectra on thin layers of GaAs. |
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