Border states in heterosheets with hexagonal symmetry

Abstract

We report first-principles electronic-structure calculations using local density approximation in density functional theory for hexagonally bonded hetero-sheets ${\mathrm{BNC}}_{x}$ consisting of graphite and boron-nitride strips. We find a class of electron states that are localized at borders of the heterosheet. Calculations for other heterosheets and homosheets, C, BN, and ${\mathrm{BC}}_{3},$ clarify universal features of the border states, edge states, and nearly-free-electron states. Electronic properties related to the border states in planer or tubular ${\mathrm{BNC}}_{x}$ are discussed.