Calculations of energy gap and optical transitions in (001) quantum films of diamond: Quantum-confinement and surface effects

Masahiko Nishida

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Calculations of energy gap and optical transitions in (001) quantum films of diamond: Quantum-confinement and surface effects

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The electronic structure of diamond (001) ultrathin quantum films terminated by monohydrogenateddimers on both surfaces with 2 X 1 periodicity is studied by the extended Huckel-type nonorthogonal tight-binding method. In all diamond films studied, an unoccupied surface-related state occurs just below the conduction-band minimum of bulk diamond at the center of the (001) surface Brillouin zone (SBZ). It is shown that, although the band gap in bulk diamond is indirect, a direct energy gap is created between the film valence-band maximum and the lowest unoccupied surface state at the SBZ center by both quantum-confinement and surface effects. It is also demonstrated that optical transitions across the energy gap are dipole allowed and exhibit significantly high oscillator strength.

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《Journal of Applied Physics》 |2007年第4期|046101-1-046101-3-0|共3页
作者
Masahiko Nishida;
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作者单位

Engineering Foundations Program, Kanazawa Institute of Technology, Nonoichi-Machi, Ishikawa 921-8501, Japan;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
原文格式 PDF
正文语种英语
中图分类应用物理学;计量学;
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Calculations of energy gap and optical transitions in (001) quantum films of diamond: Quantum-confinement and surface effects

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