Graphene has demonstrated great promise for future electronics technology as well as fundamental physics applications because of its linear energy-momentum dispersion relations which cross at the Dirac point. However, accessing the physics of the low density region at the Dirac point has been difficult because of the presence of disorder which leaves the graphene with local microscopic electron and hole puddles, resulting in a finite density of carriers even at the charge neutrality point. Efforts have been made to reduce the disorder by suspending graphene, leading to fabrication challenges and delicate devices which make local spectroscopic measurements difficult. Recently, it has been shown that placing graphene on hexagonal boron nitride (hBN) yields improved device performance. In this letter, we use scanning tunneling microscopy to show that graphene conforms to hBN, as evidenced by the presence of Moire patterns in the topographic images. However, contrary to recent predictions, this conformation does not lead to a sizable band gap due to the misalignment of the lattices. Moreover, local spectroscopy measurements demonstrate that the electron-hole charge fluctuations are reduced by two orders of magnitude as compared to those on silicon oxide. This leads to charge fluctuations which are as small as in suspended graphene, opening up Dirac point physics to more diverse experiments than are possible on freestanding devices.
Monolayer of hexagonal boron nitride (h-BN), commonly known as "white graphene" is a promising wide bandgap semiconducting material for deep-ultaviolet optoelectronic devices. In this report, the light absorption of a single layer hexagonal boron nitride is calculated using a tight-binding Hamiltonian. The absorption is found to be monotonically decreasing function of photon energy compared to graphene where absorption coefficient is independent of photon energy and characterized by the effective fine-structure constant.
The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the boron-nitride flake in its center depending on the direction of the applied strain. The proposed technique for localizing the molecular orbitals that are close to the Fermi level in the center of boron nitride flakes can be used to actualize engineered nanosensors, for instance, to selectively detect gas molecules. We show that the central part of the strain…
We study silicene on hexagonal boron nitride, using first principles calculations. Since hexagonal boron nitride is semiconducting, the interaction with silicene is weaker than for metallic substrates. It therefore is possible to open a 50 meV band gap in the silicene. We further address the effect of Mn decoration by determining the onsite Hubbard interaction parameter, which turns out to differ significantly for decoration at the top and hollow sites. The induced magnetism in the system is analyzed in detail.
We have carried out first-principles calculations on electronic properties of graphene quantum dots embedded in hexagonal boron nitride monolayer sheets. The calculations with density functional theory show that the band gaps of quantum dots are determined by the quantum confinement effects and the hybridization of π orbitals from B, N and C atoms. The energy states near the Fermi level are found to be strongly localized within and in the vicinity of the quantum dots.
Novel materials with tunable magnetic states play a significant role in the development of next-generation spintronic devices. In this paper, we examine the role of biaxial strain on the electronic properties of vacancy-decorated hexagonal boron nitride (h-BN) monolayers using density functional theory calculations. We found that the strain can lead to switching of the magnetic state for h-BN monolayers with boron vacancy or divacancy. Our findings promise a new route for the operation of low-dimensional spintronic devices.
There is a strong interest to attach nanoparticles non-covalently to one-dimensional systems like boron nitride nanotubes to form composites. The combination of those materials might be used for catalysis, in solar cells, or for water splitting. Additionally, the fundamental aspect of charge transfer between the components can be studied in such systems. We report on the synthesis and characterization of nanocomposites based on semiconductor nanoparticles attached directly and non-covalently to boron nitride nanotubes. Boron nitride nanotubes were simply integrated into the colloidal synthesis…
The design of stacks of layered materials in which adjacent layers interact by van der Waals forces[1] has enabled the combination of various two-dimensional crystals with different electrical, optical and mechanical properties, and the emergence of novel physical phenomena and device functionality[2-8]. Here we report photo-induced doping in van der Waals heterostructures (VDHs) consisting of graphene and boron nitride layers. It enables flexible and repeatable writing and erasing of charge doping in graphene with visible light. We demonstrate that this photo-induced doping maintains the high…
A continuum theory to describe periodic ripple formation in planar graphene/boron nitride superlattices is formulated. Due to the lattice mismatch between the two materials, it is shown that flat superlattices are unstable with respect to ripple formation of appropriate wavelengths. A competition between bending energy and transverse stretching energy gives rise to an optimal ripple wavelength that depends on the superlattice pitch. The optimal wavelengths predicted by the continuum theory are in good agreement with atomic scale total energy calculations previously reported in Nandwana and Ert…
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 electronic devices and a convenient low-energy testbed for intrinsically high-energy physical phenomena. Both of these research branches require the facile fabrication of clean graphene devices so as not to obscure its intrinsic physical properties. Hexagonal boron nitride has emerged as a promising substrate for graphene devices, as it is insulating, atomically fl…
Quantum emitters in layered materials are promising candidates for applications in nanophotonics. Here we present a technique based on charge transfer to graphene for measuring the charge transition levels ($\rm E_t$) of fluorescent defects in a wide bandgap 2D material, and apply it to quantum emitters in hexagonal boron nitride (hBN). Our results will aid in identifying the atomic structures of quantum emitters in hBN, as well as practical applications since $\rm E_t$ determines defect charge states and plays a key role in photodynamics.
We propose monolayer epitaxial graphene and hexagonal boron nitride (h-BN) as ultimate thickness covalent spacers for magnetoresistive junctions. Using a first-principles approach, we investigate the structural, magnetic and spin transport properties of such junctions based on structurally well defined interfaces with (111) fcc or (0001) hcp ferromagnetic transition metals. We find low resistance area products, strong exchange couplings across the interface, and magnetoresistance ratios exceeding 100% for certain chemical compositions. These properties can be fine tuned, making the proposed ju…
We demonstrate single crystal growth of wafer-scale hexagonal boron nitride (hBN), an insulating atomic thin monolayer, on high-symmetry index surface plane Cu(111). The unidirectional epitaxial growth is guaranteed by large binding energy difference, ~0.23 eV, between A- and B-steps edges on Cu(111) docking with B6N7 clusters, confirmed by density functional theory calculations.
We show that carbon-doped hexagonal boron nitride (h-BN) has extraordinary properties with many possible applications. We demonstrate that the substitution-induced impurity states, associated with carbon atoms, and their interactions dictate the electronic structure and properties of C-doped h-BN. Furthermore, we show that stacking of localized impurity states in small C clusters embedded in h-BN forms a set of discrete energy levels in the wide gap of h-BN. The electronic structures of these C clusters have a plethora of applications in optics, magneto-optics, and opto-electronics.
Two-dimensional materials are characterised by a number of unique physical properties which can potentially make them useful to a wide diversity of applications. In particular, the large thermal conductivity of graphene and hexagonal boron nitride has already been acknowledged and these materials have been suggested as novel core materials for thermal management in electronics. However, it was not clear if mass produced flakes of hexagonal boron nitride would allow one to achieve an industrially-relevant value of thermal conductivity. Here we demonstrate that laminates of hexagonal boron nitri…
Recently, Bafekry et al. [J. Appl. Phys. 130, 114301(2021)] reported their density functional theory (DFT) results on the structural, phonon dispersion, elastic constants and electronic properties of a BCN monolayer. The aforementioned theoretical work however includes erroneous results and discussions, as will be explained in the following.
We calculate theoretically the disorder-limited conductivity of monolayer and bilayer graphene on hexagonal boron nitride (h-BN) substrates, comparing our theoretical results with the recent experimental results. The comparison leads to a direct quantitative estimate of the underlying disorder strength for both short-range and long-range disorder in the graphene on h-BN system. We find that the good interface quality between graphene and h-BN leads to strongly suppressed charged impurity scattering compared with the corresponding SiO$_2$ substrate case, thus producing very high mobility for th…
We investigate tunneling in metal-insulator-metal junctions employing few atomic layers of hexagonal boron nitride (hBN) as the insulating barrier. While the low-bias tunnel resistance increases nearly exponentially with barrier thickness, subtle features are seen in the current-voltage curves, indicating marked influence of the intrinsic defects present in the hBN insulator on the tunneling transport. In particular, single electron charging events are observed, which are more evident in thicker-barrier devices where direct tunneling is substantially low. Furthermore, we find that annealing th…
The hybrid graphene - hexagonal boron nitride (G-hBN) systems offer new routes in the design of nanoscale electronic devices. Using {\it ab initio} density functional theory calculations we investigate the dynamics of zig-zag nanoribbons a few interatomic distances wide. Several structures are analyzed, namely pristine graphene, hBN and G-hBN systems. By passivating the nanoribbon edges with hydrogen and different halogen atoms, one may tune the electronic and mechanical properties, like the band gap energies and the natural frequencies of vibration.
We describe the identification of single- and few- layer boron nitride. Its optical contrast is much smaller than that of graphene but even monolayers are discernable by optimizing viewing conditions. Raman spectroscopy can be used to confirm BN monolayers. They exhibit an upshift in the fundamental Raman mode by up to 4 cm-1. The number of layers in thicker crystals can be counted by exploiting an integer-step increase in the Raman intensity and optical contrast.
We demonstrate a simple method to manipulate and exfoliate thick hexagonal boron nitride (h-BN) flakes using an atomic force microscope (AFM) cantilever and tip mounted to a micromanipulator stage. Thick flakes of tens to hundreds of nanometers can be thinned down to large area, few-layer and monolayer flakes. We characterize the resulting thinned-down flakes using AFM and Raman spectroscopy. This technique is extendable to other two dimensional, van der Waals materials.
Few-layer flakes of hexagonal boron nitride were prepared by ultrasonication of bulk crystals and agglomerated to form thin films. The transmission and reflection spectra of the thin films were measured. The spectral dependences of the linear and circular polarization revealed a hidden anisotropy of the films over the whole sample area which could not be explained by the anisotropy of the chaotically-oriented individual particles. Statistical analysis of optical microscopy images showed a macroscopic particle density distribution with ordering corresponding to the optical axis observed in the …
The atomically-precise controlled synthesis of graphene stripes embedded in hexagonal boron nitride opens up new possibilities for the construction of nanodevices with applications in sensing. Here, we explore properties related to electronic structure and quantum transport of a graphene nanoroad embedded in hexagonal boron nitride, using a combination of density functional theory and the non-equilibrium Green's functions method to calculate the electric conductance. We find that the graphene nanoribbon signature is preserved in the transmission spectra and that the local current is mainly con…
Devising ways of opening a band gap in graphene to make charge-carrier masses finite is essential for many applications. Recent experiments with graphene on hexagonal boron nitride (h-BN) offer tantalizing hints that the weak interaction with the substrate is sufficient to open a gap, in contradiction of earlier findings. Using many-body perturbation theory, we find that the small observed gap is what remains after a much larger underlying quasiparticle gap is suppressed by incommensurability. The sensitivity of this suppression to a small modulation of the distance separating graphene from th…
2D ferroelectrics with robust polarization down to atomic thicknesses provide novel building blocks for functional heterostructures. Experimental reports, however, remain scarce because of the requirement of a layered polar crystal. Here, we demonstrate a rational design approach to engineering 2D ferroelectrics from a non-ferroelectric parent compound via employing van der Waals assembly. Parallel-stacked bilayer boron nitride is shown to exhibit out-of-plane electric polarization that reverses depending on the stacking order. The polarization switching is probed via the resistance of an adja…
All local electronic properties of graphene on a hexagonal boron nitride (hBN) substrate exhibit spatial moiré patterns related to lattice constant and orientation differences between shared triangular Bravais lattices. We apply a previously derived effective Hamiltonian for the $π$-bands of graphene on h-BN to address the carrier-dependence of transport properties, concentrating on the conductivity features at four electrons and four holes per unit cell. These transport features measure the strength of Bragg scattering of $π$-electrons off the moiré pattern, and exhibit a striking particle-ho…
Optical reflectivity contrast provides a simple, fast and noninvasive method for characterization of few monolayer samples of two-dimensional materials. Here we apply this technique to measure the thickness of thin flakes of hexagonal Boron Nitride (hBN), which is a material of increasing interest in nanodevice fabrication. The optical contrast shows a strong negative peak at short wavelengths and zero contrast at a thickness dependent wavelength. The optical contrast varies linearly for 1-80 layers of hBN, which permits easy calibration of thickness. We demonstrate the applicability of this q…
Friction is one of the main sources of dissipation at liquid water/solid interfaces. Despite recent progress, a detailed understanding of water/solid friction in connection with the structure and energetics of the solid surface is lacking. Here we show for the first time that \textit{ab initio} molecular dynamics can be used to unravel the connection between the structure of nanoscale water and friction for liquid water in contact with graphene and with hexagonal boron nitride. We find that whilst the interface presents a very similar structure between the two sheets, the friction coefficient …
The substrate material of monolayer graphene influences the charge carrier mobility by various mechanisms. At room temperature, the scattering of conduction electrons by phonon modes localized at the substrate surface can severely limit the charge carrier mobility. We here show that for substrates made of the piezoelectric hexagonal boron nitride (hBN), in comparison to the widely used SiO$_2$, this mechanism of remote phonon scattering is --at room temperature-- weaker by almost an order of magnitude, and causes a resistivity of approximately 3\,$Ω$. This makes hBN an excellent candidate mate…
Using the minima hopping global geometry optimization method on the density functional potential energy surface we study medium size and large boron clusters. Even though for isolated medium size clusters the ground state is a cage like structure they are unstable against external perturbations such as contact with other clusters. The energy landscape of larger boron clusters is glass like and has a large number of structures which are lower in energy than the cages. This is in contrast to carbon and boron nitride systems which can be clearly identified as structure seekers in our minima hoppi…
We perform both lattice dynamics analysis and molecular dynamics simulations to demonstrate the existence of topologically protected phonon modes in a two-dimensional, monolayer hexagonal boron nitride sheet. The topological phonon modes are found to be localized at an in-plane interface that divides the system into two regions of distinct valley Chern numbers. The dispersion of this topological phonon mode crosses over the frequency gap [1123, 1278] cm^{-1}, which is opened through analogy with the quantum valley Hall effect by breaking inversion symmetry of the boron and nitride atoms in the…
We determine the electronic structure of a graphene sheet on top of a lattice-matched hexagonal boron nitride (h-BN) substrate using ab initio density functional calculations. The most stable configuration has one carbon atom on top of a boron atom, the other centered above a BN ring. The resulting inequivalence of the two carbon sites leads to the opening of a gap of 53 meV at the Dirac points of graphene and to finite masses for the Dirac fermions. Alternative orientations of the graphene sheet on the BN substrate generate similar band gaps and masses. The band gap induced by the BN surface …
Chemical vapor deposited (CVD) graphene is often presented as a scalable solution to graphene device fabrication, but to date such graphene has exhibited lower mobility than that produced by exfoliation. Using a boron nitride underlayer, we achieve mobilities as high as 37,000 cm^2/Vs, an order of magnitude higher than commonly reported for CVD graphene and better than most exfoliated graphene. This result demonstrates that the barrier to scalable, high mobility CVD graphene is not the growth technique but rather the choice of a substrate that minimizes carrier scattering.
Van der Waals heterostructures formed by assembling different two-dimensional atomic crystals into stacks can lead to many new phenomena and device functionalities. In particular, graphene/boron-nitride heterostructures have emerged as a very promising system for band engineering of graphene. However, the intrinsic value and origin of the bandgap in such heterostructures remain unresolved. Here we report the observation of an intrinsic bandgap in epitaxial graphene/boron-nitride heterostructures with zero crystallographic alignment angle. Magneto-optical spectroscopy provides a direct probe of…
We have studied electrical transport as a function of carrier density, temperature and bias in multi-terminal devices consisting of hexagonal boron nitride (h-BN) encapsulated titanium trisulfide (TiS$_3$) sheets. Through the encapsulation with h-BN, we observe metallic behavior and high electron mobilities. Below $\sim$60 K an increase in the resistance, and non-linear transport with plateau-like features in the differential resistance are present, in line with the expected charge density wave (CDW) formation. Importantly, the critical temperature and the threshold field of the CDW phase can …
Periodically corrugated epitaxial graphene and hexagonal boron nitride (h-BN) on metallic substrates are considered as perspective templates for the self-assembly of nanoparticles arrays. By using first-principles calculations, we determine binding energies and diffusion activation barriers of metal adatoms on graphene and h-BN. The observed chemical trends can be understood in terms of the interplay between charge transfer and covalent bonding involving the adatom d electrons. We further investigate the electronic effects of the metallic substrate and find that periodically corrugated templat…
In an attempt to understand why catalytic methods for the growth of boron nitride nanotubes work much worse than for their carbon counterparts, we use first-principles calculations to study the energetics of elemental reactions forming N2, B2 and BN molecules on an iron catalyst. We observe that in the case of these small molecules, the catalytic activity is hindered by the formation of B2 on the iron surface. We also observe that the local morphology of a step edge present in our nanoparticle model stabilizes the boron nitride molecule with respect to B2 due to the ability of the step edge to…
High pressure Raman experiments on Boron Nitride multi-walled nanotubes show that the intensity of the vibrational mode at ~ 1367 cm-1 vanishes at ~ 12 GPa and it does not recover under decompression. In comparison, the high pressure Raman experiments on hexagonal Boron Nitride show a clear signature of a phase transition from hexagonal to wurtzite at ~ 13 GPa which is reversible on decompression. These results are contrasted with the pressure behavior of carbon nanotubes and graphite.
The current rechargeable battery technologies have a failure in their performance at high pressure and temperature. In this article, we have brought theoretical insights on using boron nitride flakes as a protecting layer for a lithium-ion battery device and extended its application for a spin-dependent photon emission device. Hence, the electronic properties of pristine and lithium-doped hydrogen-edged boron nitride flakes have been studied by the first principle density functional theory calculations. In this study, we have discussed the stability, adsorption energies, bond lengths, electron…
Imaging and spectroscopy performed in a low-voltage scanning transmission electron microscope (LV-STEM) are used to characterize the structure and chemical properties of boron-terminated tetravacancies in hexagonal boron nitride (h-BN). We confirm earlier theoretical predictions about the structure of these defects and identify new features in the electron energy-loss spectra (EELS) of B atoms using high resolution chemical maps, highlighting differences between these areas and pristine sample regions. We correlate our experimental data with calculations which help explain our observations.
The effect of doping of cubic boron nitride with beryllium, silicon, sulfur and magnesium on the lattice parameters, electrical conductivity and EPR spectra has been studied. It is established that the degree of doping increases significantly in the case of crystallization of cubic boron nitride from BN solutions in supercritical ammonia at 3.9-4.2 GPa and 1100°C in comparison with the conventional synthesis from melts of the Mg-B-N system at 4.2 GPa and 1400°C. Doping with silicon and beryllium results in semiconductor properties of cubic boron nitride.
Cathodoluminescence imaging and spectroscopy experiments on a single bamboo-like boron nitride nanotube are reported. Imaging experiments show that the luminescence is located all along the nanotube. Spectroscopy experiments point out the important role of dimensionality in this one dimensional object.
A comparison between experimental and theoretical electron Energy Loss Near Edge Structure (ELNES) of B and N K-edges in cubic boron nitride is presented. The electron energy loss spectra of cubic boron nitride particles were measured using a scanning transmission electron microscope. The theoretical calculation of the ELNES was performed within the framework of density functional theory including single particle core-hole effects. It is found that experimental and calculated ELNES of both the B and N K-edges in cubic boron nitride show excellent agreement.
Recently hybridized monolayers consisting of hexagonal boron nitride (h-BN) phases inside graphene layer have been synthesized and shown to be an effective way of opening band gap in graphene monolayers [1]. In this letter, we report an ab initio density functional theory (DFT)- based study of h-BN domain size effect on the elastic properties of graphene/boron nitride hybrid monolayers (h-BNC). We found both inplane stiffness and longitudinal sound velocity of h-BNC linearly decrease with h-BN concentration.
We report on the measurement of the effective radial modulus of multiwalled Boron Nitride nanotubes with external radii in the range 3.7 to 36 nm and number of layers in between 5 and 48. These Boron Nitride nanotubes are radially much stiffer than previously reported thinner and smaller Boron Nitride nanotubes. Here, we show the key role of the morphology of the nanotubes in determining their radial rigidity, in particular we find that the external and internal radii, R_ext and R_int, have a stronger influence on the radial modulus than the NT's thickness, t. We find that the effective radial…
Nanostructure and mechanical properties of bulk nanocristalline cubic boron nitride have been studied by transmission electron microscopy, and micro- and nanoindentation. The obtained data on hardness, elastic properties and fracture toughness clearly indicate that nano-cBN belongs to a family of advanced ultra-hard materials.
Graphene nanoribbons are prepared inside boron nitride nanotubes by liquid phase encapsulation and subsequent annealing of 1,2,4-trichlorobenzene. The product is imaged with high resolution transmission electron microscopy, and characterized by optical absorption and Raman spectroscopy. Carbon-containing material is detected inside the boron nitride nanotubes with energy-dispersive x-ray spectroscopy (EDS) and scanning transmission electron microscopy (STEM). The observed structures twist under the electron beam and the characteristic features of nanoribbons appear in the Raman spectra.
We represent the results of quantum chemical calculations of boron nitride nanotubes intercalated by alkali and alkali-earth metall atoms and its ions. It was obtained that unpair spins were localized on seperated metal atoms. So we propose to construct the two-qubit cells on the basis of infilled boron nitride nanotubes for the quantum computer.
Bilayer graphene nanoribbon with zigzag edge is investigated with the tight binding model. Two stacking structures, alpha and beta, are considered. The band splitting is seen in the alpha structure, while the splitting in the wave number direction is found in the beta structure. The local density of states in the beta structure tend to avoid sites where interlayer hopping interactions are present. The calculation is extended to the boron-carbon-nitride systems. The qualitative properties persist when zigzag edge atoms are replaced with borons and nitrogens.
Despite a recent flurry of experimental and simulation studies, an accurate estimate of the interaction strength of water molecules with hexagonal boron nitride is lacking. Here we report quantum Monte Carlo results for the adsorption of a water monomer on a periodic hexagonal boron nitride sheet, which yield a water monomer interaction energy of -84 +/- 5 meV. We use the results to evaluate the performance of several widely used density functional theory (DFT) exchange correlation functionals, and find that they all deviate substantially. Differences in interaction energies between different …
Uniaxial tensile properties of hexagonal boron nitride nanoribbons and dependence of these properties on temperature, strain rate, and the inclusion of vacancy defects have been explored with molecular dynamics simulations using Tersoff potential. The ultimate tensile strength of pristine hexagonal boron nitride nanoribbon of 26 nm x 5 nm with armchair chirality is found to be 100.5 GPa. The ultimate tensile strength and strain have been found decreasing with increasing the temperature while an opposite trend has been observed for increasing the strain rate. Furthermore, the vacancy defects re…
Using combination of Density Functional Theory and Monte Carlo simulation, we study the phase stability and electronic properties of two dimensional hexagonal composites of boron nitride and graphene, with a goal to uncover the role of the interface geometry formed between the two. Our study highlights that preferential creation of extended armchair interfaces may facilitate formation of solid solution of boron nitride and graphene within a certain temperature range. We further find that for band-gap engineering, armchair interfaces or patchy interfaces with mixed geometry are most suitable. E…
The defect-mediated hexagonal boron nitride (hBN) supercell display the visible optical spectra and electronic characteristics. The defects in the hBN supercell include the atomic vacancy, antisite, antisite vacancy, and substitution of a foreign atom for boron or nitrogen. The hBN supercell with VB, CB, and NB-VN has the high electron density of states across the Fermi level which indicates the high conductive electronic characteristics. The hBN with defects including atomic vacancy, antisite vacancy, and substitution of a foreign atom for boron or nitride exhibit the distinct spin-resolved o…
Strongly anisotropic media where the principal components of the dielectric tensor have opposite signs are called hyperbolic. Such materials length exhibit unique nanophotonic properties enabled by the highly directional propagation of slow-light modes localized at deeply sub-diffractional scales. While artificial hyperbolic metamaterials have been demonstrated, they suffer from high plasmonic losses and require complex nanofabrication, which in turn induces the size-dependent limitations on optical confinement. The low-loss, mid-infrared, natural hyperbolic material, hexagonal boron nitride i…
The phonon dispersion, density of states, Grüneisen parameters, and the lattice thermal conductivity of single- and multi-layered boron nitride were calculated using first-principles methods. For the bulk {\it h}-BN we also report the two-phonon density of states. We also present simple analytical solutions to the acoustic vibrational mode-dependent lattice thermal conductivity. Moreover, computations based on the elaborate Callaway-Klemens and the real space super cell methods are presented to calculate the sample length and temperature dependent lattice thermal conductivity of single- and mu…
Optically addressable spins in materials are important platforms for quantum technologies, such as repeaters and sensors. Identification of such systems in two-dimensional (2d) layered materials offers advantages over their bulk counterparts, as their reduced dimensionality enables more feasible on-chip integration into devices. Here, we report optically detected magnetic resonance (ODMR) from previously identified carbon-related defects in 2d hexagonal boron nitride (hBN). We show that single-defect ODMR contrast can be as strong as 6% and displays a magnetic-field dependence with both positi…
The sputtering of hexagonal boron nitride due to low energy xenon ion bombardments occurs in various applications including fabrication of cubic boron nitride and erosion of Hall thruster channel walls. At low ion energies, accurate experimental characterization of sputter yields increases in difficulty due to the low yields involved. A molecular dynamics model is employed to simulate the sputtering process and to calculate sputter yields for ion energies ranging from 10 eV to 350 eV. The results are compared to experimental data and a semi-empirical expression developed by Bohdansky is found …
Ab initio calculations of the spontaneous polarization and piezoelectric properties of boron nitride nanotubes show that they are excellent piezoelectric systems with response values larger than those of piezoelectric polymers. The intrinsic chiral symmetry of the nanotubes induces an exact cancellation of the total spontaneous polarization in ideal, isolated nanotubes of arbitrary indices. Breaking of this symmetry by inter-tube interaction or elastic deformations induces spontaneous polarization comparable to those of wurtzite semiconductors.
