The electronic properties and band-gap discontinuities at the cubic boron nitride/diamond hetero-interface

Abstract

Clarifying the electronic states and structures of the c-BN/diamond interface is of extreme importance for bundling these two different wide-band gap materials in order to synthesize hybrid structures with new functional properties.

Two-dimensional ambipolar carriers of giant density at the diamond/cubic-BN(111) interfaces: toward complementary logic and quantum applications

“…As the thickness of the heterojunction increases, the band gap narrows and takes on a metallic characteristic. This phenomenon has been observed previously in the slab models of diamond/cBN(111) interfaces, 40 indicating that interfacial conduction is general. As the thickness increases, the distribution and intensity of the DOS near the Fermi level become broader and more intense.…”

Progress of structural and electronic properties of diamond: a mini review

“…It should be noted that diamond can also make deep influence in optoelectronic applications. The type-II band alignment can be observed when diamond is constructed with TiO 2 and BN [39,40]. Such alignment can promote the separation of electrons and holes, which shows potential applications in photocatalytic water splitting (Figure 4c and d).…”

“…(d) Schematic representation of the relative position of the valence band and conduction band edges of (111) c-Bn/diamond heterostructure with c-B (left) and c-n (right) bonding configurations. adapted with permission from [40]. copyright 2019, Royal Society of chemistry.…”

“…The heterostructure constructed by diamond and other materials cannot only regulate the electronic properties of diamond effectively, but also provide ideal platforms for other materials [38]. In addition, diamondcomposed heterostructures also hold great potential applications in photocatalysis, electronic devices and other fields [39,40]. However, a few works have been reported on diamond composite systems, which calls for further study.…”

Diamond/c-BN van der Waals heterostructure with modulated electronic structures

“…[9,10] Several theoretical studies of diamond/c-BN heterostructures with interfacial chemical bonds have been performed. [11,12] As is well known, the reconstruction or functionalization in diamond is essential for stabilizing the structures. [13] The H-terminated diamond samples are generally obtained in hydrogen plasma environment through the chemical vapor deposition method, [14] and the c-BN films could be treated by microwave hydrogen-plasma to obtain the hydrogenated c-BN surfaces.…”