ELECTRONIC AND OPTICAL PROPERTIES OF HYDROGENATED SILICON CLUSTERS

T. Uda
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T. Uda: Joint Research Center for Atom Technology, Angstrom Technology Partnership, Tsukuba, Ibaraki 305, Japan;

Surface Review and Letters (SRL), 1996, vol. 03, issue 01, 127-131

Abstract: Pseudopotential density-functional calculations of structural, electronic, and optical properties of nanoscale silicon clusters are presented. Perfectly hydrogen-saturated clusters are found to be structurally stable. The energy gap shows substantial blueshift and the dipole transition across the gap is allowed. The effect of dehydrogenation upon transition elements is examined, taking into account the lattice relaxation. Temperature dependence of luminescence intensity is also investigated.

Date: 1996
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DOI: 10.1142/S0218625X96000267

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