The Dirac equation is solved for triangular and hexagonal graphene quantum dots for different boundary conditions in the presence of a perpendicular magnetic field. We analyze the influence of the dot size and its geometry on their energy spectrum. A comparison between the results obtained for graphene dots with zigzag and armchair edges, as well as for infinite-mass boundary condition, is presented and our results show that the type of graphene dot edge and the choice of the appropriate boundary conditions have a very important influence on the energy spectrum. The single particle energy levels are calculated as function of an external perpendicular magnetic field which lifts degeneracies. Comparing the energy spectra obtained from the tight-binding approximation to those obtained from the continuum Dirac equation approach, we verify that the behavior of the energies as function of the dot size or the applied magnetic field are qualitatively similar, but in some cases quantitative differences can exist.
The effects of geometry on the hosting of Majorana zero modes are explored in core-shell nanowires with a hexagonal core and a triangular shell, and vice versa. The energy interval separating electronic states localized in the corners from states localized on the sides of the shell is shown to be larger for a triangular nanowire with a hexagonal core, than a triangular one. We build the topological phase diagram for both cases and compare them to earlier work on prismatic nanowires with the same core and shell geometry. We suggest that a dual core nanowire is needed to allow for a braiding ope…
With the ever-growing interest in quantum computing, understanding the behaviour of excitons in monolayer quantum dots has become a topic of great relevance. In this paper, we consider a Wannier exciton confined in a triangular quantum dot of hexagonal Boron Nitride. We begin by outlining the adequate basis functions to describe a particle in a triangular enclosure, analyzing their degeneracy and symmetries. Afterwards, we discuss the excitonic hamiltonian inside the quantum dot and study the influence of the quantum dot dimensions on the excitonic states.
We report the fabrication details and low-temperature characteristics of the first carbon nanotube (CNT) quantum dots on flakes of hexagonal boron nitride (hBN) as substrate. We demonstrate that CNTs can be grown on hBN by standard chemical vapor deposition and that standard scanning electron microscopy imaging and lithography can be employed to fabricate nanoelectronic structures when using optimized parameters. This proof of concept paves the way to more complex devices on hBN, with more predictable and reproducible characteristics and electronic stability.
The mean-field Hubbard model is used to investigate the formation of the antiferromagnetic phase in hexagonal graphene rings with inner zigzag edges. The outer edge of the ring was taken to be either zigzag or armchair, and we found that both types of structures can have a larger antiferromagnetic interaction as compared with hexagonal dots. This difference could be partially ascribed to the larger number of zigzag edges per unit area in rings than in dots. Furthermore, edge states localized on the inner ring edge are found to hybridize differently than the edge states of dots, which results i…
We report on the fabrication and characterization of etched graphene quantum dots (QDs) on hexagonal boron nitride (hBN) and SiO2 with different island diameters. We perform a statistical analysis of Coulomb peak spacings over a wide energy range. For graphene QDs on hBN, the standard deviation of the normalized peak spacing distribution decreases with increasing QD diameter, whereas for QDs on SiO2 no diameter dependency is observed. In addition, QDs on hBN are more stable under the influence of perpendicular magnetic fields up to 9T. Both results indicate a substantially reduced substrate in…
Newly synthesized nanostructures of graphene appear as a promising breeding ground for new technology. Therefore, it is important to identify the role played by the boundary conditions in their electronic features. In this contribution we use the non-equilibrium Green's function method coupled to tight-binding theory to calculate and compare the current patterns of hexagonal graphene quantum dots, with contacts placed at different edge locations. Our results reveal the formation of current vortices when the symmetry of the contact geometry is in conflict with the symmetries of the quantum dot.…
Higher harmonic generation in plane graphene quantum dots initiated by intense coherent radiation is investigated, using dynamical Hartree-Fock mean-field theory. A microscopic theory describing the extreme nonlinear optical response of plane graphene quantum dots is developed. The closed set of differential equations for the single-particle density matrix at the graphene quantum dots-strong laser field multiphoton interaction is solved numerically. The obtained solutions indicate the significance of the type of edge and lateral size, and bandgap and laser field strength in the high harmonic g…
We present theoretical results based on mean-field and exact many-body approaches showing that in bilayer triangular graphene quantum dots with zigzag edges the magnetism can be controlled by an external vertical electric-field. We demonstrate that without electric field the spins of the two layers of the quantum dot interact ferromagnetically. At a critical value of the electric-field, the total spin of the bilayer structure can be turned off or reduced to a single localized spin, a qubit isolated from contacts and free from interaction with nuclear spins.
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.
The electronic structure of monolayer MoS$_2$ nanoribbons and quantum dots have been investigated by means of an effective $\mathbf{k}\cdot \mathbf{p}$ two-band model. Both systems with borders exhibit states spatially localized on the edges and with energies lying in the band gap. We show that the conduction and valence band curvatures determine the presence/absence of these states whose origin has been related to the marginal topological properties of the MoS$_2$ single-valley Hamiltonian.
The regular array of magnetic particles (magnetic dots) of the form of a two-dimensional triangular lattice in the presence of external magnetic field demonstrates complicated magnetic structures. The magnetic symmetry of the ground state for such a system is lower than that for the underlying lattice. Long range dipole-dipole interaction leads to a specific antiferromagnetic order in small fields, whereas a set of linear topological defects appears with the growth of the magnetic field. Self-organization of such defects determines the magnetization process for a system within a wide range of …
We characterize InSb quantum dots induced by bottom finger gates within a nanowire that is grown via the vapor-liquid-solid process. The gates are separated from the nanowire by an exfoliated 35\,nm thin hexagonal BN flake. We probe the Coulomb diamonds of the gate induced quantum dot exhibiting charging energies of $\sim 2.5\,\mathrm{meV}$ and orbital excitation energies up to $0.3\,\mathrm{meV}$. The gate hysteresis for sweeps covering 5 Coulomb diamonds reveals an energy hysteresis of only $60\mathrm{μeV}$ between upwards and downwards sweeps. Charge noise is studied via long-term measureme…
We have studied the magnetoconductance of quantum dots with triangular symmetry and areas down to 0.2 square microns, made in a high mobility two-dimensional electron gas embedded in a GaAs-AlGaAs heterostructure. Semiclassical simulations show that the gross features in the measured magnetoconductance are caused by ballistic effects. Below 1 K we observe a strong periodic oscillation, which may be explained in terms of the Aharanov-Bohm flux quantization through the area of a single classical periodic orbit. From a numerical and analytical analysis of possible trajectories in hard- and soft-w…
We present a tight-binding theory of triangular graphene quantum dots (TGQD) with zigzag edge and broken sublattice symmetry in external magnetic field. The lateral size quantization opens an energy gap and broken sublattice symmetry results in a shell of degenerate states at the Fermi level. We derive a semi-analytical form for zero-energy states in a magnetic field and show that the shell remains degenerate in a magnetic field, in analogy to the 0th Landau level of bulk graphene. The magnetic field closes the energy gap and leads to the crossing of valence and conduction states with the zero…
In this paper, we study topological phases in a 2D photonic crystal with broken time ($\mathcal{T}$) and parity ($\mathcal{P}$) symmetries by performing calculations of band structures, Berry curvatures, Chern numbers, edge states and also numerical simulations of light propagation in the edge modes. Specifically, we consider a hexagonal lattice consisting of triangular gyromagnetic rods. Here the gyromagnetic material breaks $\mathcal{T}$ symmetry while the triangular rods breaks $\mathcal{P}$ symmetry. Interestingly, we find that the crystal could host quantum anomalous Hall (QAH) phases wit…
The electronic shell structure of triangular, hexagonal and round graphene quantum dots (flakes) near the Fermi level has been studied using a tight-binding method. The results show that close to the Fermi level the shell structure of a triangular flake is that of free massless particles, and that triangles with an armchair edge show an additional sequence of levels ("ghost states"). These levels result from the graphene band structure and the plane wave solution of the wave equation, and they are absent for triangles with an zigzag edge. All zigzag triangles exhibit a prominent edge state at …
We study numerically the optical properties of low-buckled silicene and AB-stacked bilayer graphene quantum dots subjected to an external electric field, which is normal to their surface. Within the tight-binding model, the optical absorption is calculated for quantum dots, of triangular and hexagonal shapes, with zigzag and armchair edge terminations. We show that in triangular silicene clusters with zigzag edges a rich and widely tunable infrared absorption peak structure originates from transitions involving zero energy states. The edge of absorption in silicene quantum dots undergoes red s…
The structure stability and electronic properties of edge carboxylated hexagonal and triangular graphene quantum dots are investigated by using density functional theory. The calculated binding energies show that the hexagonal clusters with armchair edges have the highest stability among all other flakes. The binding energy of carboxylated graphene quantum dots increases by increasing the number of attached carboxyl groups. Our study shows that the total dipole moment significantly increases by adding COOH with the highest values observed in triangular clusters. The edge states in triangular g…
The band modulation of the silicene and graphene quantum dots is investigated by a first-principles method. This study includes the ordinary silicene and graphene quantum dots and the embedded quantum dots in the hydrogenated silicene and graphene. The shapes and sizes of quantum dots are recognized as important factors for the electronic properties. We studied several types of quantum dots: triangular, parallelogram, rectangular, hexagonal dots. It demonstrates the energy gap of the quantum dot can be tuned by the dot size, the larger of the dot the smaller the energy gap. Moreover, the shape…
In this paper, we perform a systematic study on the electronic, magnetic, and transport properties of the hexagonal graphene quantum dots (GQDs) with armchair edges in the presence of a charged impurity using two different configurations: (1) a central Coulomb potential and (2) a positively charged carbon vacancy. The tight binding (TB) and the half-filled extended Hubbard models are numerically solved and compared with each other in order to reveal the effect of electron interactions and system sizes. Numerical results point out that off-site Coulomb repulsion leads to an increase in the crit…
We demonstrate a mapping between the problem of charge ordering in a triangular array of quantum dots and a frustrated Ising spin model. Charge correlation in the low temperature state is characterized by an intrinsic height field order parameter. Different ground states are possible in the system, with a rich phase diagram. We show that electronic hopping transport is sensitive to the properties of the ground state, and describe the singularities of hopping conductivity at the freezing into an ordered state.
The far-infrared absorption of triangular and square two-dimensional quantum dots is studied by means of time simulations of the density oscillations within the time-dependent local-spin-density approximation. The absorption is spatially analyzed using a local-response theory that allows the identification of {\em corner} and {\em side} modes in the geometric nanostructures. The evolution with a vertical magnetic field of varying intensity is also discussed.
A two-dimensional arrangement of quantum dots with finite inter-dot tunnel coupling provides a promising platform for studying complicated spin correlations as well as for constructing large-scale quantum computers. Here, we fabricate a tunnel-coupled triangular triple quantum dot with a novel gate geometry in which three dots are defined by positively biasing the surface gates. At the same time, the small area in the center of the triangle is depleted by negatively biasing the top gate placed above the surface gates. The size of the small center depleted area is estimated from the Aharonov-Bo…
We present a theory of electronic properties of gated triangular graphene quantum dots with zigzag edges as a function of size and carrier density. We focus on electronic correlations, spin and geometrical effects using a combination of atomistic tight-binding, Hartree-Fock and configuration interaction methods (TB+HF+CI) including long range Coulomb interactions. The single particle energy spectrum of triangular dots with zigzag edges exhibits a degenerate shell at the Fermi level with a degeneracy N_{edge} proportional to the edge size. We determine the effect of the electron-electron intera…
The electronic energy gap and total dipole moment of chemically functionalized hexagonal and triangular graphene quantum dots are investigated by the density functional theory. It has been found that the energy gap can be efficiently tuned in the selected clusters by edge passivation with different elements or groups. Edge passivation with oxygen provides a considerable decrease of the large energy gap observed in hexagonal nanodots. The edge states and energy gap in triangular graphene quantum dots can also be manipulated by passivation with fluorine. The total dipole moment strongly depends …
We present here an atomistic theory of the electronic and optical properties of hexagonal InAsP quantum dots in InP nanowires in the wurtzite phase. These self-assembled quantum dots are unique in that their heights, shapes, and diameters are well known. Using a combined valence-force-field, tight-binding, and configuration-interaction approach we perform atomistic calculations of single-particle states and excitonic, biexcitonic and trion complexes as well as emission spectra as a function of the quantum dot height, diameter and As versus P concentration. The atomistic tight-binding parameter…
We analyze coherent spin phenomena in triple quantum dots in triangular configuration under crossed DC and AC magnetic fields. In particular, we discuss the interplay between Aharonov-Bohm current oscillations, coherent electron trapping and spin blockade under electron spin resonance conditions. We demonstrate that, for certain field frequencies, AC magnetic fields induce an antiresonant behavior in the current, allowing for both removal and restoration of entangled spin blockaded states by tuning the AC field frequency. Our theoretical predictions indicate how to manipulate spin qubits in a …
In this paper we analyse the electronic properties of Dirac electrons in finite-size ribbons and in circular and hexagonal quantum dots made of graphene.
We present a simple yet effective strategy to suppress the leakage in the charge quadrupole qubit system by having the dots in a triangle as opposed to the linear geometry originally conceived. We find that the tunnel coupling between the two outmost dots are amplified in triangular triple dots, which consequently reduces leakage by separating the leaked state and qubit states. We have found that the leakage can be suppressed by as much as five orders of magnitude when the dots form an equilateral triangle, with further improvement of control fidelities possible if composite pulses are applied…
We present the results of ab-initio density functional theory based calculations of the stability and reconstruction of zigzag edges in triangular graphene quantum dots. We show that, while the reconstructed pentagon-heptagon zigzag edge structure is more stable in the absence of hydrogen, ideal zigzag edges are energetically favored by hydrogen passivation. Zero-energy band exists in both structures when passivated by hydrogen, however in case of pentagon-heptagon zigzag, this band is found to have stronger dispersion, leading to the loss of net magnetization.
We study the magnetization of square and hexagonal graphene dots. It is shown that two classes of hexagonal dots have a second order phase transition at a critical Hubbard energy $U$, whoose value is similar to the one in bulk graphene, albeit the dots do not have a density of states proportional to the absolute value of the energy, relatively to the Dirac point. Furthermore, we show that a particular class of hexagonal dots having zig-zag edges, does not exhibit zero energy edge states. We also study the effect of uniaxial strain on the evolution of the magnetization of square dots, and find …
We present a theoretical proposal for the Herzberg circuit and controlled accumulation of Berry's phase in a chirality-based coded qubit in a triangular triple quantum dot molecule with one electron spin each. The qubit is encoded in the two degenerate states of a three spin complex with total spin $S=1/2$. Using a Hubbard and Heisenberg model the Herzberg circuit encircling the degeneracy point is realized by adiabatically tuning the successive on-site energies of quantum dots and tunnel couplings across a pair of neighbouring dots. It is explicitly shown that encircling the degeneracy point …
We present a model of a qubit built of a three coherently coupled quantum dots with three spins in a triangular geometry. The qubit states are encoded in the doublet subspace and they are controlled by a gate voltage, which breaks the triangular symmetry of the system. We show how to prepare the qubit and to perform one qubit operations. A new type of the current blockade effect will be discussed. The blockade is related with an asymmetry of transfer rates from the electrodes to different doublet states and is used to read-out of the dynamics of the qubit state. Our research also presents anal…
We investigate the properties of electronic states and optical transitions in hexagonal GaAs quantum dots within AlGaAs nanowires. Such dots are particularly interesting due to their high degree of symmetry. A streamlined postsymmetrization technique based on class operators (PTCO) is developed which enables one to benefit in one run from the insight brought by the Maximal symmetrization and reduction of fields (MSRF) approach reported by Dalessi et al. [Phys. Rev. B 81, 125106 (2010)], after having solved the Schrödinger equation. Definite advantages of the PTCO are that it does not require h…
Electronic properties of triangular and hexagonal nano-scale quantum dots (QDs) of Silicene and bilayer graphene are studied. It is shown that the low-energy edge-localized electronic states, existing within the size-quantized gap are easily tunable by electric field. The appearance and field evolution of the electronic gap in these zero energy states (ZES) is shown to be very sensitive to QD geometry that permits to design the field-effect scalable QD devices with electronic properties on-demand.
Transport properties of an interacting triple quantum dot system coupled to three leads in a triangular geometry has been studied in the Kondo regime. Applying mean-field finite-U slave boson and embedded cluster approximations to the calculation of transport properties unveils a set of rich features associated to the high symmetry of this system. Results using both calculation techniques yield excellent overall agreement and provide additional insights into the physical behavior of this interesting geometry. In the case when just two current leads are connected to the three-dot system, interf…
The surface of a three-dimensional topological insulator (TI) hosts two-dimensional massless Dirac fermions (DFs), the gapless and spin-helical nature of which yields many exotic phenomena, such as the immunity of topological surface states (TSS) to back-scattering. This leads to their high transmission through surface defects or potential barriers. Quantum corrals, previously elaborated on metal surfaces, can act as nanometer-sized electronic resonators to trap Schrödinger electrons by quantum confinement. It is thus intriguing, concerning their peculiar nature, to put the Dirac electrons of …
We theoretically investigate the effects of atomic defect related short-range disorders and electron-electron interactions on Anderson type localization and the magnetic properties of hexagonal armchair graphene quantum dots using an extended mean-field Hubbard model. We observe that randomly distributed defects with concentrations between 1-5\% of the total number of atoms leads to localization alongside magnetic puddle-like structures. We show that localization lenght is not affected by magnetization if there is an even distribution of defects between the two sublattices of the honeycomb lat…
The fluctuation behavior of triple quantum dots (TQDs) has, so far, largely focused on current cumulants in the long-time limit via full counting statistics. Given that (TQDs) are non-trivial open quantum systems with many interesting features, such as Aharonov-Bohm interference and coherent population blocking, new fluctuating-time statistics, such as the waiting time distribution (WTD), may provide more information than just the current cumulants alone. In this paper, we use a Born-Markov master equation to calculate the standard and higher-order WTDs for coherentlycoupled TQDs arrayed in tr…
Density functional theory calculations are performed on phosphorene quantum dots having different shapes and edge terminations to investigate their structure stability, electronic properties, and gas sensing ability. All the selected phosphorene dots, namely hexagonal and triangular flakes with armchair and zigzag terminations, have positive binding energies which insure their stability even though the bond lengths are much longer than those in the infinite phosphorene layer. It is found that all the selected hydrogen passivated quantum dots have a wide energy gap. In contrast, the partial pas…
We present a theory of excitonic processes in gate controlled graphene quantum dots. The dependence of the energy gap on shape, size and edge for graphene quantum dots with up to a million atoms is predicted. Using a combination of tight-binding, Hartree-Fock and configuration interaction methods, we show that triangular graphene quantum dots with zigzag edges exhibit optical transitions simultaneously in the THz, visible and UV spectral ranges, determined by strong electron-electron and excitonic interactions. The relationship between optical properties and finite magnetic moment and charge d…
Micromagnetic simulations studies on Permalloy (Ni80Fe20) nanodot with different shape and edge-to-edge separation (s) down to 25nm arranged in square lattice are reported. We observe the significant variation of spin-wave (SW) dynamics of nanodots of different shapes (triangular, diamond and hexagon) and of fixed dot diameter 100nm with varying s. Modes for single dot are transformed in an array into multiple quantized, edge and centre modes for different shapes and edge-to-edge separations, with different spin wave frequencies and peak intensities. Specifically, in the triangular dot sample,…
We present electronic structure and quantum transport calculations that predict conducting channels induced in graphene quantum dots by lines of adsorbed hydrogen atoms to function as highly efficient, experimentally realizable valley filters, accumulators and switches. The underlying physics is a novel property of graphene Dirac point resonances (DPRs) that is revealed here, namely, that an electric current passing through a DPR-mediated conducting channel in a given direction is carried by electrons of em only one of the two graphene valleys. Our predictions apply to lines of hydrogen atoms …
We study the electronic structure and magnetic properties of h-BN triangular clusters embedded in graphene supercells. We find that, depending on the sizes of the clusters and the graphene separation region between them, spin polarization can be induced through charge doping or can be observed even in the neutral state. For these cases, half-metallicity is observed for certain charged states, which are otherwise metallic. In these half-metallic states, the spin density is concentrated near the edges of the clusters, in analogy to the more common predictions for half-metals in zigzag graphene n…
Using the tight-binding approximation we calculated the magnetic susceptibility of graphene quantum dots (GQD) of different geometrical shapes and sizes, smaller than the magnetic length, when the magnetic properties are governed by the electron edge states. Two types of edge states can be discerned: the zero-energy states (ZES) located exactly at the zero-energy Dirac point, and the dispersed edge states (DES) with the energy close, but not exactly equal to zero. DES are responsible for the temperature independent diamagnetic response, while ZES provide the temperature dependent spin Curie pa…
An ab initio calculations have been carried out for examining the curvature effect of small diameter hexagonal boron nanotubes. The considered conformations of boron nanotubes are namely armchair (3,3), zigzag (5,0) and chiral (4,2), and consist of 12, 20, and 56 atoms, respectively. The strain energy is evaluated in order to examine the curvature effect. It is found that the strain energy of hexagonal BNT strongly depends upon the radius, whereas the strain energy of triangular BNTs depends on both radius and chirality.
The effect of electron-electron interaction on the electronic structure of Aharonov-Bohm (AB) graphene quantum rings (GQRs) is explored theoretically using the single-band tight-binding Hamiltonian and the mean-field Hubbard model. The electronic states and magnetic properties of hexagonal, triangular and circular GQRs with different sizes and zigzag edge terminations are studied. The results show that, although the AB oscillations in the all types of nanoring are affected by the interaction, the spin splitting in the AB oscillations strongly depends on the geometry and the size of graphene na…
The electric-field effect on the electronic and magnetic properties of triangular and hexagonal graphene quantum rings with zigzag edge termination is investigated by means of the single-band tight-binding Hamiltonian and the mean-field Hubbard model. It is shown how the electron and spin states in the nanoring structures can be manipulated by applying an electric field. We find different spin-depolarization behaviors with variation of electric field strength due to the dependence of spin densities on the shapes and edges of this kind of nanorings. In the case of triangular quantum rings, the …
We investigated binding of hydrogen atoms to small Polycyclic Aromatic Hydrocarbons (PAHs) - i.e. graphene dots with hydrogen-terminated edges - using density functional theory and correlated wavefunction techniques. We considered a number of PAHs with 3 to 7 hexagonal rings and computed binding energies for most of the symmetry unique sites, along with the minimum energy paths for significant cases. The chosen PAHs are small enough to not present radical character at their edges, yet show a clear preference for adsorption at the edge sites which can be attributed to electronic effects. We sho…
We study generation and dynamics of an exchange spin qubit encoded in three coherently coupled quantum dots with three electrons. For two geometries of the system a linear and a triangular one, the creation and coherent control of the qubit states are performed by the Landau--Zener transitions. In the triangular case both the qubit states are equivalent and can be easily generated for particular symmetries of the system. If one of the dots is smaller than the others one can observe Rabi oscillations, that can be used for coherent manipulation of the qubit states. The linear system is easier to…
