Physics Commons^™

Calculation Of The Electronic And Optical Properties Of Nanoscale Systems, Barry Haycock

Doctoral

At the nanometer length scale, the size of surface features in crystalline semiconductor systems is of the same order as the electron wavelength. This can result in unusual behaviour in the systems electronic, magnetic and optical properties due to electron confinement effects. Such effects can have practical and commercial applications and are currently the subject of considerable study in the disciplines of theoretical, computational and materials technology within nanoscience. This thesis uses molecular dynamics computational methods to examine such effects in the electronic structure of semiconductor-based crystalline systems. Three unique surfaces were studied in detail - the SiC(111) surface, the …