arXiv subjects

Daniel Miravet

Publications and source records attributed to Daniel Miravet.

18 recordsLinked to original sources

arXiv2026

Majorana Fermions in spin up and down electronic complexes in spin-orbit coupled array of semiconductor quantum dots in proximity to $s$-type superconductor and in magnetic field

Semiconductor-s-type superconductor nanowires host spinful fermions and cannot be reduced to a single spinless Kitaev chain hosting single Majorana zero mode. Instead, such systems can be converted into two coupled p-wave Kitaev-like chains associated with different spin sectors. Using the bond Fermion transformation and exact diagonalization, we analyze parity resolved spectra and local spectral functions, demonstrating that zero-energy modes strongly localized at the system boundaries emerge only in one effective chain. Inter-chain coupling lifts parity degeneracy and redistributes the low-energy spectral weight, providing a controlled framework to assess the stability of Majorana-like modes in the finite spinful nanowires.

cond-mat.mes-hall↗

arXiv2025

Bilayer graphene quantum dots as a quantum simulator of Haldane topological quantum matter

We demonstrate here that a chain of Bilayer Graphene Quantum Dots (BLGQDs) can realize topological quantum matter by effectively simulating a spin-1 chain that hosts the Haldane phase within a specific range of parameters. We describe a chain of BLGQDs with two electrons per dot using an atomistic tight-binding model combined with exact diagonalization to solve the interacting few-electron problem. Coulomb interactions and valley-mixing effects are treated within a single microscopic framework, allowing us to systematically investigate spin and valley polarization transitions as functions of interaction strength and external tuning parameters. We calculate the low energy states for single and double QDs as a function of the number of electrons, identifying regimes of highly correlated multi-electron states. We confirm the presence of a spin-one ground state for two electrons. Then, we explore two coupled QDs with 4 electrons and extend the analysis to QD arrays. Using a mapping of the BLGQD chain to an effective bilinear-biquadratic (BLBQ) spin model, we demonstrate that BLGQD arrays can work as a quantum simulator for one-dimensional spin chains with emergent many-body topological phases.

cond-mat.mes-hall↗

arXiv2025

Magnetism and hidden quantum geometry in charge neutral twisted trilayer graphene

Here we present a theory of mirror-symmetric magic angle twisted trilayer graphene. The electronic properties are described by a Hubbard model with long range tunneling matrix elements. The electronic properties are obtained by solving the mean field Hubbard model. We obtain the bandstructure with characteristic flat bands and a Dirac cone. At charge neutrality, turning on electron-electron interactions results in metallic to antiferomagnetic phase transition, for Hubbard interaction strength considerably smaller than in other graphene multilayers. We analyze the stability of the antiferromagnetic state against the symmetry breaking induced by hexagonal boron nitride encapsulation, and mirror symmetry breaking caused by the application of electric fields that mix the Dirac cone with the flat bands. Additionally, we explore the topological properties of the system, revealing a hidden quantum geometry. Despite the flat bands having zero Chern numbers, the multiband Berry curvature distribution over the moir\'e Brillouin zone exhibits a non-trivial structure. Finally, we propose a mechanism to tune this quantum geometry, providing a pathway to control the system's topological properties.

cond-mat.mes-hall↗

arXiv2024

Designing Majorana Quasiparticles in InAsP Quantum Dots in InP Nanowires with Variational Quantum Eigenvalue Solver

This work presents steps toward the design of Majorana zero modes (MZM) in InAsP quantum dots (QD) embedded in an InP semiconducting nanowire in contact with a p-type superconductor described by the Kitaev Hamiltonian. The single particle spectrum is obtained from million atom atomistic calculations with QNANO and many-electron spectra using exact diagonalization (ED) and the hybrid Variational Quantum Eigensolver (VQE) method. A variational ansatz is constructed to capture the ground state of the system by utilizing a generalized form of the analytical solution for a particular set of parameters. By systematically deviating from the analytically solvable regime while maintaining the system in the topological phase (TP), the effectiveness of the variational function in reproducing the correct ground state and topological properties of the system is evaluated. This is done through a quantum algorithm for a many-body state containing MZM. The results are compared with exact solution in topological phase and demonstrate the capability of VQE, along with classical simulations, to accurately model the many-body spectra in topologically nontrivial state.

quant-ph↗

arXiv2024

Valley-spin polarization at zero magnetic field induced by strong hole-hole interactions in monolayer WSe$_2$

Monolayer transition metal dichalcogenides have emerged as prominent candidates to explore the complex interplay between the spin and the valleys degrees of freedom. The strong spin-orbit interaction and broken inversion symmetry within these materials lead to the spin-valley locking effect, in which carriers occupying the K and K' valleys of the reciprocal space must have opposite spin depending on which valley they reside. This effect is particularly strong for holes due to a larger spin-orbit gap in the valence band. By reducing the dimensionality of a monolayer of tungsten diselenide to 1D via electrostatic confinement, we demonstrate that spin-valley locking in combination with strong hole-hole interactions lead to a ferromagnetic state in which hole transport through the 1D system is spin-valley polarized, even without an applied magnetic field, and that the persistence of this spin-valley polarized configuration can be tuned by a global back-gate. This observation opens the possibility of implementing a robust and stable valley polarized system, essential for valleytronic applications.

cond-mat.mes-hall↗

arXiv2024

Theory of excitonic complexes in gated WSe$_2$ quantum dots

Single-layer quantum dot gate potential causes type-II band alignment, i.e. electrostatically confines holes and repels electrons, or vice versa. Hence, the confinement of excitons in gated type II quantum dots involves a delicate balance of the repulsion of electrons due to the gate potential with the attraction caused by the Coulomb interaction with a hole localized in the quantum dot. This work presents a theory for neutral excitonic complexes within gated $\text{WSe}_\text{2}$ quantum dots, considering spin, valley, electronic orbitals, and many-body interactions. We analyze how the electron-hole attraction depends on a range of system parameters, such as screened Coulomb interaction, strength of confinement of holes, and repulsion of electrons. Using an atomistic tight binding model we compute valence and conduction band states within a computational box comprising over one million atoms with applied gate potential. The atomistic wavefunctions are then used to calculate direct and exchange Coulomb matrix elements for a fictitious type I quantum dot, and to obtain a spectrum of interacting electron-hole pairs. Next, we study the effect of repulsive potential, pulling away electrons from the valence hole. We determine whether electron-hole pairs are sufficiently attracted to overcome electron repulsion by the confinement potential. Finally, we compute the dipole transition between hole and electron states to obtain the absorption spectrum.

cond-mat.mes-hall↗

arXiv2024

Interacting holes in a gated WSe$_2$ quantum channel: valley correlations and zigzag Wigner crystal

We present a theory of interacting valence holes in a gate-defined one-dimensional quantum channel in a single layer of a transition metal dichalcogenide material WSe$_2$. Based on a microscopic atomistic tight-binding model and Hartree-Fock and exact configuration-interaction tools we demonstrate the possibility of symmetry-broken valley polarized states for strongly interacting holes. The interplay between interactions, perpendicular magnetic field, and the lateral confinement asymmetry together with the strong Rashba spin-orbit coupling present in WSe$_2$ material is analyzed, and its impact on valley polarization is discussed. For weaker interactions, an investigation of the pair correlation function reveals a valley-antiferromagnetic phase. For low hole densities, a formation of a zigzag Wigner crystal phase is predicted. The impact of various hole liquid phases on transport in a high mobility quasi-one dimensional channel is discussed.

cond-mat.mes-hall↗

arXiv2024

Probing the zero energy shell wave functions of triangular graphene quantum dots with broken sublattice symmetry using a localized impurity

We present here a method of probing the wave functions of a degenerate shell in a triangular graphene quantum dot, triangulene, using a localized substitutional impurity. We demonstrate its applicability to the example of aza-triangulenes. Using the analytical solution for degenerate states of an all-carbon triangulene as a basis for a triangulene containing a nitrogen impurity, we predict the structure of the zero energy shell in the presence of this impurity. We show that the impurity allows probing of the wave functions of a degenerate shell on a carbon site where it is located. We confirm our predictions by a comparison with the tight-binding and ab-initio calculation as well as with experiment.

cond-mat.mes-hall↗

arXiv2024

Optical Properties of Gated Bilayer Graphene Quantum Dots with Trigonal Warping

We determine the optical properties of gated bilayer graphene quantum dots with trigonal warping (TW) of single-particle energy spectra. The lateral structure of metallic gates confines electrons and holes in a quantum dot (QD) electrostatically. The gated bilayer graphene energy spectrum is characterized by two K-valleys surrounded by three minivalleys with energies depending on the applied vertical electric field. Employing an atomistic tight-binding model, we compute the single-particle QD states and analyze the influence of TW on the energy spectrum as the lateral confining potential depth varies. We find a regime where the QD levels are dominated by the presence of three minivalleys around each K-valley. Next, we compute dipole matrix elements and analyze the oscillator strengths and optical selection rules for optical valence to conduction band transitions. We then include electron-electron interactions by first computing the microscopic Coulomb matrix elements, electron self-energy, and solving the Bethe-Salpeter equation to obtain the excitonic spectrum. Finally, we obtain the absorption spectrum for a shallow confining potential depth, which further amplifies the effects of TW on the optical properties. Our results predict the existence of two degenerate bright exciton states, each built of the three minivalley states that do not exist in the deep confinement regime, where the effects of TW are negligible.

cond-mat.mes-hall↗

arXiv2024

Two qubit gate with macroscopic singlet-triplet qubits in synthetic spin-one chains in InAsP quantum dot nanowires

We present a theory of a two qubit gate with macroscopic singlet-triplet (ST) qubits in synthetic spin-one chains in InAsP quantum dot nanowires. The macroscopic topologically protected singlet-triplet qubits are built with two spin-half Haldane quasiparticles. The Haldane quasiparticles are hosted by synthetic spin-one chain realized in chains of InAsP quantum dots embedded in an InP nanowire, with four electrons each. The quantum dot nanowire is described by a Hubbard-Kanamori (HK) Hamiltonian derived from an interacting atomistic model. Using exact diagonalization and Matrix Product States (MPS) tools, we demonstrate that the low-energy behavior of the HK Hamiltonian is effectively captured by an antiferromagnetic spin-one chain Hamiltonian. Next we consider two macroscopic qubits and present a method for creating a tunable coupling between the two macroscopic qubits by inserting an intermediate control dot between the two chains. Finally, we propose and demonstrate two approaches for generating highly accurate two-ST qubit gates : (1) by controlling the length of each qubit, and (2) by employing different background magnetic fields for the two qubits.

cond-mat.mes-hall↗

arXiv2023

Electrically Tunable Fine Structure of Negatively Charged Excitons in Gated Bilayer Graphene Quantum Dots

We predict here the fine structure of an electrically tunable negatively charged exciton (trion) composed of two electrons and a hole confined in a gated bilayer graphene quantum dot (QD). We start with an atomistic approach, allowing us to compute confined electron and confined hole QD states for a structure containing over one million atoms. Using atomistic wavefunctions we compute Coulomb matrix elements and self-energies. In the next step, by solving the Bethe-Salpeter-like equation for trions, we describe a negatively charged exciton, built as a strongly interacting interlayer complex of two electrons in the conduction band and one hole in the valence band. Unlike in conventional semiconducting QDs, we show that the trion contains a fine structure composed of ten states arising from the valley and spin degrees of freedom. Finally, we obtain absorption into and emission from the trion states. We predict the existence of bright low-energy states and propose to extract the fine structure of the trion using the temperature dependence of emission spectra.

cond-mat.mes-hall↗

arXiv2023

Atomistic theory of moir\'e Hofstadter's butterfly in magic-angle graphene

We present here a Hofstadter's butterfly spectrum for the magic angle twisted bilayer graphene obtained using an ab initio based multi-million atom tight-binding model. We incorporate a hexagonal boron nitride substrate and out-of-plane atomic relaxation. The effects of a magnetic field are introduced via the Peierls modification of the long-range tight-binding matrix elements and the Zeeman spin splitting effects. A nanoribbon geometry is studied, and the quantum size effects for the sample widths up to 1 $\mu$m are analyzed both for a large energy window and for the flatband around the Fermi level. For sufficiently wide ribbons, where the role of the finite geometry is minimized, we obtain and plot the Hofstadter spectrum and identify the in-gap Chern numbers by counting the total number of chiral edge states crossing these gaps. Subsequently, we examine the Wannier diagrams to identify the insulating states at charge neutrality. We establish the presence of three types of electronic states: moir\'e, mixed, and conventional. These states describe both the bulk Landau levels and the edge states crossing gaps in the spectrum. The evolution of the bulk moir\'e flatband wavefunctions in the magnetic field is investigated, predicting a decay of the electronic density from the moir\'e centers as the magnetic flux increases. Furthermore, the spatial properties of the three types of edge states are studied, illustrating the evolution of their localization as a function of the nanoribbon momentum.

cond-mat.str-el↗

arXiv2023

Interacting holes in gated WSe$_2$ quantum dots

We develop here a theory of the electronic properties of a finite number of valence holes in gated WSe$_2$ quantum dots, considering the influence of spin, valley, electronic orbitals, and many-body interactions. The single-particle wave functions are constructed by combining the spin-up and down states of the highest valence bulk bands employing a multi-million atom ab-initio based tight-binding model solved in the wave-vector space, allowing to study up to 100 nm radius quantum dots atomistically. The effects of the many-body interactions are determined using the configuration interaction (CI) technique, applied up to $N = 6$ holes occupying up to 6 electronic shells with 42 orbitals. Our results show that N=2 holes are in valley and spin anti-ferromagnetic ground state, independent of the interaction strength and the quantum dot size. However, we predict that higher number of holes can undergo a transition to spontaneously broken symmetry valley and spin polarized ferromagnetic phases, highlighting the interplay between the many-body effects and the quantum dot lateral size and confining potential depth.

cond-mat.mes-hall↗

arXiv2023

Topological design and synthesis of high-spin aza-triangulenes without Jahn-Teller distortions

The atomic doping of open-shell nanographenes enables the precise tuning of their electronic and magnetic state, which is crucial for their promising potential applications in optoelectronics and spintronics. Among this intriguing class of molecules, triangulenes stand out with their size-dependent electronic properties and spin states, which can also be influenced by the presence of dopant atoms and functional groups. However, the occurrence of Jahn-Teller distortions in such systems can have a crucial impact on their total spin and requires further theoretical and experimental investigation. In this study, we examine the nitrogen-doped aza-triangulene series via a combination of density functional theory and on-surface synthesis. We identify a general trend in the calculated spin states of aza-[n]triangulenes of various sizes, separating them into two symmetry classes, one of which features molecules that are predicted to undergo Jahn-Teller distortions that reduce their symmetry and thus their total spin. We link this behavior to the location of the central nitrogen atom relative to the two underlying carbon sublattices of the molecules. Consequently, our findings reveal that centrally-doped aza-triangulenes have one less radical than their undoped counterparts, irrespective of their predicted symmetry. We follow this by demonstrating the on-surface synthesis of {\pi}-extended aza-[5]triangulene, a large member of the higher symmetry class without Jahn-Teller distortions, via a simple one-step annealing process on Cu(111) and Au(111). Using scanning probe microscopy and spectroscopy combined with theoretical calculations, we prove that the molecule is positively charged on the Au(111) substrate, with a high-spin quintet state of S = 2, the same total spin as undoped neutral [5]triangulene.

cond-mat.mtrl-sci↗

arXiv2023

Majorana excitons in a Kitaev chain of semiconductor quantum dots in a nanowire

We present here a theory of Majorana excitons, photo-excited conduction electron-valence band hole pairs, interacting with Majorana Fermions in a Kitaev chain of semiconductor quantum dots embedded in a nanowire. Using analytical tools and exact diagonalisation methods we identify the presence of Majorana Zero Modes in the nanowire absorption spectra.

cond-mat.mes-hall↗

arXiv2022

Microscopic design of a topologically protected singlet-triplet qubit in an InAsP quantum dot array

We present here the steps enabling the microscopic design of a topologically protected singlet-triplet qubit in an InAsP quantum dot array embedded in an InP nanowire. The qubit is constructed with two Haldane spin-$\frac{1}{2}$ quasiparticles in a synthetic spin one chain. The qubit is described by a two-leg multi-orbital Hubbard Kanamori (HK) model with parameters obtained from the microscopic calculations of up to eight electrons in a single and double quantum dot. In this HK model describing long arrays of quantum dots, using both exact diagonalization and matrix product state (MPS) tools, we demonstrate a four-fold quasidegenerate ground state separated from excited states by a finite energy gap similar to a Heisenberg spin-1 chain in the Haldane phase. We demonstrate the existence of spin-$\frac{1}{2}$ quasiparticles at the edges of the chain by observing the magnetic field dependence of the low energy spectrum as a function of applied magnetic field. The applied magnetic field also isolates the singlet and $S^z=0$ triplet states from the other triplet components allowing these states to serve as a qubit basis. Most importantly, the regions in parameter space where the low energy spectrum of the multi-orbital Hubbard chain yields a Heisenberg spin-1 chain spectrum are mapped out. Due to the finite energy gap, this qubit has the potential to be protected against perturbations.

cond-mat.str-el↗

arXiv2021

Ballistic-like Space-charge-limited Currents in Halide Perovskites at Room Temperature

The emergence of halide perovskites in photovoltaics has diversified the research on this material family and extended their application towards several fields in the optoelectronics, such as photo- and ionizing-radiation-detectors. One of the most basic characterization protocols consist on measuring the dark current-voltage (J-V) curve of symmetrically contacted samples for identifying the different regimes of space-charge-limited current (SCLC). Customarily, J=C*V^n curves indicate the Mott-Gurney law when n=2, or the Child-Langmuir ballistic regime of SCLC when n=3/2. The latter can be often found in perovskite samples. In this work, we start by discussing the interpretation of currents proportional to V^(3/2) in relation to the masking effect of the dual electronic-ionic conductivity in halide perovskites. However, we do not discard the actual occurrence of SCLC transport with ballistic-like trends. For those cases, we introduce the models of: quasi-ballistic velocity-dependent dissipation (QvD) and the ballistic-like voltage-dependent mobility (BVM) regime of SCLC. The QvD model is shown to better describe electronic kinetics, whereas the BVM model is revealed as suitable for describing electronic or ionic kinetics in halide perovskites. The proposed formulations can be used as characterization tools for the evaluation of effective mobilities, charge carrier concentrations and times-of-flight from J-V curves and impedance spectroscopy spectra.

cond-mat.mtrl-sci↗

arXiv2019

Analytical Model for Light Modulating Impedance Spectroscopy (LIMIS) in All-Solid-State p-n Junction Solar Cells at Open-Circuit

Non-circuit theory drift-diffusion numerical simulation of standard potentiostatic impedance spectroscopy (IS) is a well-known strategy for characterization of materials and electronic devices. It implies the time-dependent solutions from the continuity and Poisson's equations under small perturbation of the bias boundary condition at the electrodes. But in the case of photo-sensitive devices a small light perturbation can be also taken modulating the generation rate along the absorber bulk. In that focus, this work approaches a set of analytical solutions for the signals of IS and intensity modulated photocurrent and photovoltage spectroscopies, IMPS and IMVS respectively, from one-sided p-n junction solar cells at open-circuit. Subsequently, a photo-impedance signal named light intensity modulated impedance spectroscopy (LIMIS equals IMVS over IMPS) is analytically simulated and its difference with respect to IS suggests a correlation with the surface charge carrier recombination velocity. This is an illustrative result and starting point for future more realistic numerical simulations.

cond-mat.mtrl-sci↗