Magnetic states and optical properties of single-layer carbon-doped hexagonal boron nitride

TL;DR

This paper investigates how carbon doping in hexagonal boron nitride alters its electronic and optical properties, revealing impurity states and energy level formations that have potential applications in various optical and electronic devices.

Contribution

It provides a detailed analysis of impurity states and their interactions in C-doped h-BN, highlighting the formation of discrete energy levels and their implications.

Findings

Impurity states influence electronic structure significantly.

Stacking of impurity states creates discrete energy levels.

Potential applications in optics and magneto-optics.

Abstract

We show that carbon-doped hexagonal boron nitride (h-BN) has extraordinary properties with many possible applications. We demonstrate that the substitution-induced impurity states, associated with carbon atoms, and their interactions dictate the electronic structure and properties of C-doped h-BN. Furthermore, we show that stacking of localized impurity states in small C clusters embedded in h-BN forms a set of discrete energy levels in the wide gap of h-BN. The electronic structures of these C clusters have a plethora of applications in optics, magneto-optics, and opto-electronics.