Natural band alignment of $\mathrm{Mg}{\mathrm{O}}_{1-\mathrm{x}}{\mathrm{S}}_{\mathrm{x}}$ alloys

Yuichi Ota, Kentaro Kaneko, Takeyoshi Onuma +1

We have calculated formation enthalpies, band gaps, and natural band alignment for $\mathrm{Mg}{\mathrm{O}}_{1-\mathrm{x}}{\mathrm{S}}_{\mathrm{x}}$ alloys by first principles calculation based on density functional theory. T…