"A route to tunable direct band-gap diamond devices: Electronic structures of nanodiamond crystals "

Takao Sasagawa: Zhi-xun Shen ; J. Appl. Phys., 10/01/08.

Additional Authors: Zhi-xun Shen

Abstract:

Electronic structures of nanodiamond crystals are elucidated by means of first principles calculations. It is found that the lowest unoccupied molecular orbital of diamond molecules forms the conduction band with a parabolic dispersion centered at the momentum origin. This results in a direct band gap in the nanodiamond crystal, which contrasts sharply with the indirect gap in bulk diamond. The corresponding light absorption/emission energy can be tuned within the ultraviolet wavelength range by choosing different nanodiamonds, which provides significant potential for their optoelectronic applications.