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Imaging materials and inner structures with resolution below the diffraction limit has become of fundamental importance in recent years for a wide variety of applications. In this work, we report sub-diffractive internal structure diagnosis…

Two-dimensional hexagonal boron nitride (hBN) has attracted large attentions as platforms for realizations for integrated nanophotonics and collective effort has been focused on the spin defect centers. Here, the temperature dependence of…

Using periodic DFT, we examined the adsorption of NO2, NH3, and O3 on the h-BN side of a graphene/h-BN heterostructure designed as a model gas sensor material. The h-BN overlayer serves both as an active adsorption surface and as protection…

Materials Science · Physics 2026-03-17 Martin Siebel , Pavel Rubin , Raivo Jaaniso

By using first-principles calculations, we investigated the effects of graphene/boron nitride (BN) encapsulation, surface functionalization by metallic elements (K, Al, Mg and typical transition metals) and molecules…

Materials Science · Physics 2018-04-17 Andrey A. Kistanov , Yongqing. Cai , Kun Zhou , Sergey V. Dmitriev , Yong-Wei Zhang

Hexagonal boron nitride (hBN) is drawing increasing attention as an insulator and substrate material to develop next generation graphene-based electronic devices. In this paper, we investigate the quantum transport in heterostructures…

Mesoscale and Nanoscale Physics · Physics 2015-06-30 Y. Zhao , Z. Wan , X. Xu , S. R. Patil , U. Hetmaniuk , M. P. Anantram

The doping of graphene to tune its electronic structure is essential for its further use in carbon based electronics. Adapting strategies from classical silicon based semiconductor technology, we use the incorporation of heteroatoms in the…

The boron-vacancy spin defect ($\text{V}_\text{B}^{-}$) in hexagonal boron nitride (hBN) has a great potential as a quantum sensor in a two-dimensional material that can directly probe various external perturbations in atomic-scale…

Quantum Physics · Physics 2023-04-04 P. Udvarhelyi , T. Clua-Provost , A. Durand , J. Li , J. H. Edgar , B. Gil , G. Cassabois , V. Jacques , A. Gali

Grain boundaries are commonly observed in carbon nanostructures, but their influence on thermal and electric properties are still not completely understood. Using a combined approach of density functional tight-binding theory and…

Materials Science · Physics 2015-06-30 Thomas Lehmann , Dmitry A. Ryndyk , Gianaurelio Cuniberti

We study the effect of uniaxial strain on the band structure of ZrSe$_3$, a semiconducting material with a marked in-plane structural anisotropy. By using a modified 3-point bending test apparatus, thin ZrSe$_3$ flakes were subjected to…

In their tubelike phase, nanowire-adsorbed polymers exhibit strong structural similarities to morphologies known from single-walled carbon (hexagonal) and boron (triangular) nanotubes. Since boron/boron nitride tubes require some disorder…

Soft Condensed Matter · Physics 2021-05-13 Thomas Vogel , Tali Mutat , Joan Adler , Michael Bachmann

Two-dimensional materials are extraordinarily sensitive to external stimuli, making them ideal for studying fundamental properties and for engineering devices with new functionalities. One such stimulus, strain, affects the magnetic…

The sensitive correlation between optical parameters and strain in Mo$S_2$ results in a totally different approach to tune the optical properties. Usually, an external source of strain is employed to monitor the optical and vibrational…

Mesoscale and Nanoscale Physics · Physics 2020-01-31 Shubham Bhagat , Shivani Sharma , Jasvir Singh , Sandeep Sharma

We investigate the electronic properties of heterostructures based on ultrathin hexagonal boron nitride (h-BN) crystalline layers sandwiched between two layers of graphene as well as other conducting materials (graphite, gold). The tunnel…

We report, based on its variation in electronic transport to coupled tension and shear deformation, a highly sensitive graphene-based strain sensor consisting of an armchair graphene nanoribbon (AGNR) between metallic contacts. As the…

Mesoscale and Nanoscale Physics · Physics 2015-08-28 Zenan Qi , Jian Zhang , Guiping Zhang , Harold S. Park

We combine ab initio, tight-binding methods and analytical theory to study piezoelectric effect of boron nitride nanotubes. We find that piezoelectricity of a heteropolar nanotube depends on its chirality and diameter and can be understood…

Materials Science · Physics 2007-05-23 Na Sai , E. J. Mele

The electronic properties of a triaxially strained hexagonal graphene flake with either armchair or zig-zag edges are investigated using molecular dynamics simulations and tight-binding calculations. We found that: i) the pseudo-magnetic…

Mesoscale and Nanoscale Physics · Physics 2015-06-19 M. Neek-Amal , L. Covaci , Kh. Shakouri , F. M. Peeters

Unlike the electrical conductance that can be widely modulated within the same material even in deep nanoscale devices, tuning the thermal conductance within a single material system or nanostructure is extremely challenging and requires a…

Mesoscale and Nanoscale Physics · Physics 2021-05-12 Georgia T. Papadakis , Christopher J. Ciccarino , Lingling Fan , Meir Orenstein , Prineha Narang , Shanhui Fan

Electron energy loss spectra have been measured on hexagonal boron nitride single crystals employing a novel electron energy loss spectroscopic set-up composed by an electron microscope equipped with a monochromator and an in-column filter.…

The emerging ferroelectric properties of two-dimensional (2D) heterostructures are at the forefront of science and prospective technology. In moir\'e bilayers, twisting or heterostructuring causes local atomic reconstruction, which even at…

Materials Science · Physics 2025-03-18 Wilson Nieto Luna , Robin Smeyers , Cem Sevik , Lucian Covaci , Milorad V. Milošević

Optically-active spin defects hosted in hexagonal boron nitride (hBN) are promising candidates for the development of a two-dimensional (2D) quantum sensing unit. Here, we demonstrate quantitative magnetic imaging with hBN flakes doped with…