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Since its discovery in 2004, graphene has attracted the interest of the scientific community due to its excellent properties of high carrier mobility, flexibility, strong light-matter interaction and broadband absorption. Despite of its…
A systematic treatment of graphene-semiconductor junction is presented. Finite density of states at the Fermi level of graphene leads to exotic electronic properties at graphene-semiconductor interface. Quite generally, the Schottky-Mott…
For the moment, there is no exact description of van der Waals (vdW) interactions. ACFD-RPA \cite{Gould1} is expected to better describe vdW bonding, but it is not exact. The PBE/DFT-D2 method is less satisfactory, however, its results are…
The metal contacts on 2D black phosphorus field-effect transistor and photodetectors are studied. The metal work functions can significantly impact the Schottky barrier at the metal-semiconductor contact in black phosphorus devices. Higher…
Integration of semiconducting transition metal dichalcogenides (TMDs) into functional optoelectronic circuitries requires an understanding of the charge transfer across the interface between the TMD and the contacting material. Here, we use…
The van der Waals heterostructures of allotropes of phosphorene (${\alpha}$- and $\beta-P$) with MoSe2 (H-, T-, ZT- and SO-MoSe2) are investigated in the framework of state-of-the-art density functional theory. The semiconducting…
The transition metal dichalcogenide ($MX_{2}$, where $M$=Mo, W and $X$=S, Se, Te) monolayers are of high interest for semiconducting applications at the nanoscale level; this interest is due to both their direct band gaps and high charge…
Two-dimensional (2D) materials have attracted a great deal of interest in recent years. This family of materials allows for the realization of versatile electronic devices and holds promise for next-generation (opto)electronics. Their…
The 2D ferromagnets, such as CrX3 (X=Cl, Br and I), have been attracting extensive attentions since they provide novel platforms to fundamental physics and device applications. Integrating CrX3 with other electrodes and substrates is an…
Transistor miniaturization requires controlling gate leakage through ultrathin dielectrics and minimizing source/drain contact resistance. Although two-dimensional (2D) semiconductors offer excellent electrostatic control, their interfaces…
Traditionally, Schottky diodes are used statically in the electronic information industry but dynamic state Schottky diodes based applications have been rarely explored. Herein, a novel Schottky diode named moving Schottky diode generator…
Properties of many layered materials, including copper- and iron-based superconductors, topological insulators, graphite and epitaxial graphene can be manipulated by inclusion of different atomic and molecular species between the layers via…
An atomistic insight into potential barrier formation and band bending at the interface between a metal and an n-type semiconductor is achieved by ab initio simulations and model analysis of a prototype Schottky diode, i.e., niobium doped…
Diodes are key elements for electronics, optics, and detection. The search for a material combination providing the best performances for the required application is continuously ongoing. Here, we present a superconducting spintronic tunnel…
Two-dimensional (2D) materials and their heterostructures have been intensively studied in recent years due to their potential applications in electronic, optoelectronic, and spintronic devices. Nonetheless, the realization of 2D…
Studies of the structural, electronic, and optical characteristics of the interfaces between graphene and ZnO polar surfaces is carried out using first-principles simulations. At the interface, a strong van der Waals force is present, and…
The prominent role of electron-electron interactions in two-dimensional (2D) materials versus three-dimensional (3D) ones is at the origin of the great variety of fermionic correlated states reported in the literature. In this respect,…
The properties of metal-semiconductor junctions are often unpredictable because of non-ideal interfacial structures, such as interfacial defects or chemical reactions introduced at junctions. Black phosphorus (BP), an elemental…
A critical challenge for the integration of the optoelectronics is that photodetectors have relatively poor sensitivities at the nanometer scale. It is generally believed that a large electrodes spacing in photodetectors is required to…
Since the initial discovery of two-dimensional van der Waals (vdW) materials, significant effort has been made to incorporate the three properties of magnetism, band structure topology, and strong electron correlations $-$ to leverage…