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The field of graphene research has developed rapidly since its first isolation by mechanical exfoliation in 2004. Due to the relativistic Dirac nature of its charge carriers, graphene is both a promising material for next-generation…
In this Letter, we derive an effective theory of graphene on a hexagonal Boron Nitride (h-BN) substrate. We show that the h-BN substrate generically opens a spectral gap in graphene despite the lattice mismatch. The origin of that gap is…
Negative friction coefficients, where friction is reduced upon increasing normal load, are predicted for superlubric graphite-hexagonal boron nitride heterojunctions. The origin of this counterintuitive behavior lies in the load-induced…
When combined with graphene, hexagonal boron nitride (h-BN) is an ideal substrate and gate dielectric with which to build metalh-BN|graphene field-effect devices. We use first-principles density functional theory (DFT) calculations for…
We theoretically investigate the unusual features of the magnetotransport in a monolayer phosphorene ferromagnetic/normal/ferromagnetic (F/N/F) hybrid structure. We find that the charge conductance can feature a minimum at parallel (P)…
Increased power density in modern microelectronics has led to thermal management challenges which can cause degradation in performance and reliability. In many high-power electronic devices, the power consumption and heat removal are…
To investigate the properties of iron-based superconductors, we examined different kinds of Josephson junctions using Co-doped Ba-122 thin films. Based on bicrystalline SrTiO3 substrates we prepared grain boundary (GB) junctions, which…
Magnetic tunnel junctions (MTJs) with bcc(001)-type structures such as Fe(001)/MgO(001)/Fe(001), have been widely used as the core of various spintronic devices such as magnetoresistive memories; however, the limited material selection of…
The emerging interest in van der Waals heterostructures as new materials for opto-electronics and photonics poses questions about their stability and structure-property relations. In the framework of density-functional and many-body…
Hybrid graphene-superconductor devices have attracted much attention since the early days of graphene research. So far, these studies have been limited to the case of diffusive transport through graphene with poorly defined and modest…
Cross-planar di-vacancies (CPDVs) within stacked graphene hexagonal boron nitride (h-BN) heterostructures provide stabilized covalent links to bridge adjacent graphene and h-BN sheets. It was shown that the CPDVs serve as focal points for…
Hexagonal boron nitride (h-BN) and graphite are structurally similar but with very different properties. Their combination in graphene-based devices meets now a huge research focus, and it becomes particularly important to evaluate the role…
Interfacial interactions in two parallel-stacked hexagonal boron-nitride (hBN) layers facilitate sliding ferroelectricity, enabling novel device functionalities. Additionally, when Bernal or twisted bilayer graphene is aligned with an hBN…
We study the interfacial thermal conductance of grain boundaries (GBs) between monolayer graphene and hexagonal boron nitride (h-BN) sheets using a combined atomistic approach. First, realistic samples containing graphene/h-BN GBs with…
Twistronic heterostructures have recently emerged as a new class of quantum electronic materials with properties determined by the twist angle between the adjacent two-dimensional materials. Here we study moir\'e superlattice minibands in…
In heterostructures consisting of atomically thin crystals layered on top of one another, lattice mismatch or rotation between the layers results in long-wavelength moir\'e superlattices. These moir\'e patterns can drive significant band…
Nano Electro Mechanical (NEM) contact switches have been widely studied as one of the alternative for classical field effect transistor (FET). An ideal NEM contact switch with hysteresis free switching slope (SS) of 0 mV/dec is desired to…
We perform extensive first-principles calculations for heterostructures composed of monolayer graphene and hexagonal boron nitride (hBN). Employing a symmetry-derived minimal tight-binding model, we extract orbital and spin-orbit coupling…
Depositing magnetic insulators on graphene has been a promising route to introduce magnetism via exchange proximity interaction in graphene for future spintronics applications. Molecule-based magnets may offer unique opportunities because…
Insulating hexagonal boron nitride (hBN) films with precisely controlled thickness are ideal dielectric components to modulate various interfaces in electronic devices. To achieve this, high-quality hBN with controlled atomic configurations…