An. Kholod et al., CHANGE IN ELECTRONIC-PROPERTIES OF NANOCR YSTALLINE SILICON DURING FORMATION OF ITS INTERGRAIN BOUNDARIES, Doklady Akademii nauk BSSR, 41(4), 1997, pp. 58-61
Electronic properties of both nanometer thickness (111) monocrystallin
e and nanocrystalline free standing silicon films were calculated by a
self-consistent LCAO method. Grain boundaries passivated with hydroge
n in the nanocrystalline films are found to induce a direct band gap.