Tunable electronic properties of van der Waals heterostructures composed of stanene adsorbed on two-dimensional, graphene-like nitrides

Yelgel, Celal/0000-0003-4164-477XWOS: 000465441200044We investigated the structural stability and electronic properties of stanene/graphene-like nitride (stanene/XN, X = Al, B, and Ga) heterostructures using first-principles calculations. the results reveal that stanene interacts with BN (GaN) via van der Waals interactions with a binding energy of 93 meV (171 meV) per Sn atom. in contrast, the stanene/AlN heterostructure shows a strong inter-layer coupling, with a binding energy of 315 meV per Sn atom. the electronic structure of stanene/GaN shows a direct bandgap of 213 meV at the Dirac point. the stanene/AlN and stanene/GaN heterostructures have Schottky barriers of 1.383 and 1.243 eV, respectively, with p-type Schottky contacts. in addition, an n-type Schottky contact is formed in the stanene/BN heterostructure with a Schottky barrier of 2.812 eV. the results suggest that the studied heterostructures are potential candidates for stanene-based nanoelectronic applications. Published under license by AIP Publishing.Scientific and Technological Research Council of Turkey (TUBITAK)Turkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) [BIDEB-2219, 2018-1]C.Y. acknowledges the Scientific and Technological Research Council of Turkey (TUBITAK) through BIDEB-2219 program (2018-1). the numerical calculations reported in this paper were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRUBA resources)