The unique carrier mobility of Janus MoSSe/GaN heterostructures

Abstract

Heterostructure is an effective approach in modulating the physical and chemical behavior of materials. Here, the first-principles calculations were carried out to explore the structural, electronic, and carrier mobility properties of Janus MoSSe/GaN heterostructures. This heterostructure exhibits a superior high carrier mobility of 281.28 cm 2 V -1 s -1 for electron carrier and 3951.2 cm 2 V -1 s -1 for hole carrier. Particularly, the magnitude of the carrier mobility can be further tuned by Janus structure and stacking modes for the heterostructure. It is revealed that the equivalent mass and elastic moduli strongly affect the carrier mobility of the heterostructure, while the deformation potential contribute the different carrier mobility for electron and hole of the heterostructure. These results suggested that the Janus MoSSe/GaN heterostructure has many potential applications for the unique carrier mobility.

The role of permanent and induced electrostatic dipole moments for Schottky barriers in Janus MXY/graphene heterostructures: a first-principles study

“…Existing studies in the field indicate that the assembly of vdW heterostuctures can not only change the band gap of the individual components, but also provide unique values of E SBH and interface contact types. It has been observed that by interfacing graphene with different semiconductors, such as in graphene/MoS 2 , [29][30][31] graphene/ phosphorene, 32,33 graphene/BN, 34 and MoSSe/BN 35 heterostructures, different electrical contacts can be engineered. Furthermore, the Schottky barrier height and contact types of these heterostructures can also be tuned by extrinsic methods.…”

Electronic and optical properties of two-dimensional heterostructures based on Janus XSSe (X = Mo, W) and Mg(OH)2: a first principles investigation

“…59,60 The Janus TMD materials have pronounced carrier mobility ranging from 28 to 606 cm 2 V À1 s À1 . 61,62 Besides, a Janus chromium dichalcogenide was proved to have the ability to separate the photogenerated electrons and holes, and the excited carriers had a lifetime of about 2 ns calculated by the time domain density functional theory. 63 Interestingly, the electronic property of the MoSSe monolayer can be tuned by a tensile strain from direct to indirect bandgap, and the excellent visible-light absorption performance promises its use as a photocatalyst.…”

Band alignment of 2D WS2/HfO2 interfaces from x-ray photoelectron spectroscopy and first-principles calculations

“…Heterostructures of 2D layered WS2 with insulating substrates are of fundamental importance in the electronic and optoelectronic applications [31,32].…”