Acceptor and donor ionization energy levels in O-doped ZnTe
نویسنده
چکیده
The O-doped ZnTe (ZnTe! xOx) alloys present induce levels through O doping into the host semiconductor gap. ZnTe usually crystallizes in the zinc-blend structure and ZnO in the wurtzite structure under normal conditions. Therefore two possible ZnTe5 xOx phases may coexist, although in different proportions, depending on experimental growth conditions. We present total energy calculations and analyze some of their electronic properties with respect to: the two ordered wurtzite and zinc-blende structures, the concentration (x from 0.0078 to 0.5), the localized basis set (from single-zeta to quadruple-zeta with , . . ' , , polarization basis sets), and the variation of the ionization levels with x and with the distance O-Zn. Ionization levels ZnTe:0 Intermediate band Photovoltaics
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