arXiv subjects

Kieran Mullen

Publications and source records attributed to Kieran Mullen.

At least 19 recordsLinked to original sources

arXiv2025

Electrical Control of Exciton-Polariton Condensate Josephson Junctions via Exciton Stark Effect

We propose harnessing the tools of modern nano-fabrication to provide electrical control of exciton-polariton (EP) condensates. We develop the theory of a device based on the Josephson effect in which electric fields can be used to both switch between and monitor various dynamical modes. In particular, both the bias potential and the Josephson energy can be tuned electrically via the exciton component. We model the device by a Gross-Pitaevskii equation assuming that ideal EP condensates are established with well-balanced pumping and dissipation. We find that the EP condensates can be manipulated through degrees of freedom not easily accessible in other coherent quantum systems, and the dynamics of EP Josephson junctions are richer than that of the conventional superconducting junctions. The ability to control and monitor the condensate by both optical and electrical means allows new ways to study its physics not possible by either, alone.

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arXiv2024

Optimal Matching of Thermal Vibrations into Carbon Nanotubes

Carbon nanotubes (CNTs) are promising candidates to improve the thermal conductivity of nano-composites. The main obstacle to these applications is the extremely high thermal boundary (Kapitza) resistance between the CNTs and their matrix. In this theoretical work our goal is to maximize the heat flux through the CNT by functionalizing the CNT ends. We use a Landauer approach to calculate and optimize the energy flux from a soft to a hard material in one dimension through a connecting continuous medium of varying elasticity and density. The transmission probability of phonons through the system is calculated both numerically and analytically. We find that over 90% of the maximum heat flux into CNT is possible for 1nm length of the intermediate material at room temperature (300K).

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arXiv2021

Quantum-Electrodynamical Time-Dependent Density Functional Theory. I. A Gaussian Atomic Basis Implementation

Inspired by the formulation of quantum-electrodynamical time-dependent density functional theory (QED-TDDFT) by Rubio and coworkers, we propose an implementation that uses dimensionless amplitudes for describing the photonic contributions to QED-TDDFT electron-photon eigenstates. The leads to a symmetric QED-TDDFT coupling matrix, which is expected to facilitate the future development of analytic derivatives. Through a Gaussian atomic basis implementation of the QED-TDDFT method, we examined the effect of dipole self-energy, rotating wave approximation, and the Tamm-Dancoff approximation on the QED-TDDFT eigenstates of model compounds (ethene, formaldehyde, and benzaldehyde) in an optical cavity. We highlight, in the strong coupling regime, the role of higher-energy and off-resonance excited states with large transition dipole moments in the direction of the photonic field, which are automatically accounted for in our QED-TDDFT calculations and might substantially affect the energy and composition of polaritons associated with lower-energy electronic states.

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arXiv2020

Automatic Learning of Topological Phase Boundaries

Topological phase transitions, which do not adhere to Landau's phenomenological model (i.e. a spontaneous symmetry breaking process and vanishing local order parameters) have been actively researched in condensed matter physics. Machine learning of topological phase transitions has generally proved difficult due to the global nature of the topological indices. Only recently has the method of diffusion maps been shown to be effective at identifying changes in topological order. However, previous diffusion map results required adjustments of two hyperparameters: a data length-scale and the number of phase boundaries. In this article we introduce a heuristic that requires no such tuning. This heuristic allows computer programs to locate appropriate hyperparameters without user input. We demonstrate this method's efficacy by drawing remarkably accurate phase diagrams in three physical models: the Haldane model of graphene, a generalization of the Su-Schreiffer-Haeger (SSH) model, and a model for a quantum ring with tunnel junctions. These diagrams are drawn, without human intervention, from a supplied range of model parameters.

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arXiv2020

Topological Effects in Tunneling-Coupled Systems of One-Dimensional Quantum Rings

Using a model of idealized, crossed one-dimensional quantum wires we construct a novel model for a single electron on tunneling-coupled systems of one-dimensional quantum rings. We explore and find that topology can affect the energetics of the system, and can introduce frustration in the three ring case. We also study the special cases of an external magnetic field that controls the complex phase of the tunneling matrix element, and introduce the knot theory concept of "writhe" as a new topological quantity for distinguishing one hole systems. We find that writhe not only determines the energetic response of the system to magnetic field strength, but is also responsible for a single particle topological quantum phase transition involving the ground state wave function winding number.

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arXiv2018

A Comparison of Genetic Algorithms and Simulated Annealing in Maximizing the Thermal Conductivity of Discrete Massive Chains

Functions of chemical composition are complex and discrete in nature making it impossible to optimize them with gradient methods. Genetic algorithms, which do not use derivative information, are used to maximize the thermal conductivity of one-dimensional classical harmonic oscillators made from a fixed library of randomly generated molecular units. The ability for the genetic algorithm to build structures with components having no physical increment is important in optimizing molecules with a library of unrelated polymer units. The performance of genetic algorithms in this problem is compared with simulated annealing. Hyper-parameters for these routines are selected from a grid search in order to optimize their expected solution strength. The solutions found via the genetic algorithm consistently outperform those of simulated annealing at the cost of longer computer time. Together, these algorithms are able to find thermal conductor candidates that mirror solutions in continuous media.

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arXiv2017

Pseudo-Magnetic Quantum Hall Effect In Oscillating Graphene

When a graphene layer is stressed, the strain alters the phase an electron accumulates hopping between sites in a way that can be modeled as arising from a pseudo-magnetic vector potential. We examine the case of an oscillating graphene ribbon and explore a new effect - an oscillating resistance arising from an oscillating quantum Hall effect. This pseudo-magneto-resistance is large, and depends upon the frequency and the amplitude of the acoustic oscillations. We calculate the consequences for experiment.

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arXiv2016

Dirac loops in trigonally connected 3D lattices

We consider different generalizations of the honeycomb lattice to three dimensional structures. We address the family of the hyper-honeycomb lattice, which is made up of alternating layers of 2D honeycomb nano-ribbons, with each layer rotated by $π/2$ with the layer below. When the orbitals of the lattice sites are symmetric with respect to the planes of the trigonal links, these structures can produce a Dirac loop, a closed line of Dirac nodes in momentum space. For orbitals that break that symmetry, such as the carbon $p$-wave orbitals, hyper-honeycomb lattices do not possess the loop structure. We also consider a new structure, the screw hyper-honeycomb, in which the successive layers of parallel units are rotated by $2π/3$. This structure has a Dirac loop if reflection symmetry in the unit cell is imposed, regardless the symmetry of the onsite orbitals. We discuss the implementation of those systems in optical lattices.

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arXiv2015

Line of Dirac Nodes in Hyper-Honeycomb Lattices

We propose a family of free fermion lattice models that have "Dirac loops", closed lines of Dirac nodes in momentum space, on which the density of states vanishes linearly with energy. Those lattices all possess the planar trigonal connectivity present in graphene, but are three dimensional. We show that their highly anisotropic and multiply-connected Fermi surface leads to quantized Hall conductivities in three dimensions for magnetic fields with toroidal geometry. In the presence of spin-orbit coupling, we show that those structures have topological surface states. We discuss the feasibility of realizing the structures as new allotropes of carbon.

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arXiv2012

Tunable Thermal Transport and Thermal Rectification in Strained Graphene Nanoribbons

Using molecular dynamics(MD) simulations, we study thermal transport in graphene nanoribbons (GNR) subjected to uniform uniaxial and nonuniform strain fields. We predict significant thermal rectification (over 70%) in a rectangular armchair GNR by applying a transverse force asymmetrically. The heat flux is larger from the less stressed region to the more stressed region. Furthermore, we develop a theoretical framework based on the non-equilibrium thermodynamics to discuss when thermal rectification under a stress gradient can occur. We conclude with a discussion of details relevant to experiment.

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arXiv2011

R-matrix theory for nanoscale phonon thermal transport across devices and interfaces

We have adapted R-matrix theory to calculate phonon scattering across systems of molecular to mesoscopic scale. The key novelty of this work is that the only required information about the scattering region are its normal modes, which are evaluated only once for a system. Thus, R-matrix theory is a computationally efficient and simple approach to calculate phonon scattering in larger systems. To validate and to demonstrate the applicability of the theory, we apply it to two systems: a one dimensional chain of atoms and a graphene nanoribbon. In both cases, we discuss the effect of mass impurities on thermal transport.

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arXiv2011

Theoretical Comparison of Rashba Spin-Orbit Coupling in Digitally, Discretely, and Continuously Alloyed Nanostructures

Although most theoretical calculations of quantum wells with non-square profiles assume that material composition is varied continuously, it is more common in experiment to grow digital alloys. We compare the Rashba spin-orbit interaction of triangular wells using continuous, discrete, and digital alloying profiles in (001)-grown triangular InSb/Al_f(z)In_(1-f(z))Sb, finding a very large difference between digital alloying and the others, including a sign change in the Rashba spin-orbit coupling. We find that the interface contribution to the Rashba spin-orbit coupling is much larger in the continuously- and discretely-alloyed triangular quantum wells than in the digitally-alloyed triangular wells, in which it is almost completely absent. The electric field contribution, however, is quite similar in all three systems. Due to a much stronger doping dependence in all three systems, the electric field contribution dominates at higher dopings, although the very large offset due to the near absence of interface contribution in digitally-alloyed wells persists.

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arXiv2011

Polarization transitions in Quantum Dot Quantum Well Arrays

With the improvement in fabrication techniques it is now possible to produce atom-like semiconductor structures with unique electronic properties. This makes possible periodic arrays of nano-structures in which the Coulomb interaction, polarizability, and tunneling may all be varied. We study the collective properties of 2D arrays and 3D face centered cubic lattices of singly-charged nano-spherical shells, sometimes called `quantum-dot quantum wells' or `core-shell quantum dots.' We find that for square arrays, the classical groundstate is an Ising anti-ferroelectret (AFE), while the quantum groundstate undergoes a transition from a uniform state to an AFE. The triangular lattice, in contrast, displays properties characteristic of frustration. Three dimensional face-centered cubic lattices polarize in planes, with each layer alternating in direction. We discuss the possible experimental signals of these transitions.

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arXiv2010

Efficient Random Walk Algorithm for Simulating Thermal Transport in Composites With High Conductivity Contrast

In dealing with thermal transport in composite systems, high contrast materials pose a special problem for numerical simulation: the time scale or step size in the high conductivity material must be much smaller than in the low conductivity material. In the limit that the higher conductivity inclusion can be treated as having an infinite conductivity, we show how a standard random walk algorithm can be alterred to improve speed while still preserving the second law of thermodynamics. We demonstrate the principle in a 1D system, and then apply it to 3D composites with spherical inclusions.

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arXiv2006

Evaporative Cooling in Semiconductor Devices

We discuss the theory of cooling electrons in solid-state devices via ``evaporative emission.'' Our model is based on filtering electron subbands in a quantum-wire device. When incident electrons in a higher-energy subband scatter out of the initial electron distribution, the system equilibrates to a different chemical potential and temperature than those of the incident electron distribution. We show that this re-equilibration can cause considerable cooling of the system. We discuss how the device geometry affects the final electron temperatures, and consider factors relevant to possible experiments. We demonstrate that one can therefore substantial electron cooling due to quantum effects in a room-temperature device. The resulting cooled electron population could be used for photo-detection of optical frequencies corresponding to thermal energies near room temperature.

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arXiv2006

Polarization transitions in interacting ring 1D arrays

Periodic nanostructures can display the dynamics of arrays of atoms while enabling the tuning of interactions in ways not normally possible in Nature. We examine one dimensional arrays of a ``synthetic atom,'' a one dimensional ring with a nearest neighbor Coulomb interaction. We consider the classical limit first, finding that the singly charged rings possess antiferroelectric order at low temperatures when the charge is discrete, but that they do not order when the charge is treated as a continuous classical fluid. In the quantum limit Monte Carlo simulation suggests that the system undergoes a quantum phase transition as the interaction strength is increased. This is supported by mapping the system to the 1D transverse field Ising model. Finally we examine the effect of magnetic fields. We find that a magnetic field can alter the electrostatic phase transition producing a ferroelectric groundstate, solely through its effect of shifting the eigenenergies of the quantum problem.

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arXiv2003

Polarization transitions in quantum ring arrays

We calculate the zero temperature electrostatic properties of charged one and two dimensional arrays of rings, in the classical and quantum limits. Each ring is assumed to be an ideal ring of negligible width, with exactly one electron on the ring that interacts only with nearest neighbor rings. In the classical limit we find that if the electron is treated as a point particle, the 1D array of rings can be mapped to an Ising antiferromagnet, while the 2D array groundstate is a four-fold degenerate "stripe" phase. In contrast, if we treat the electrical charge as a continuous fluid, the distribution will not spontaneously break symmetry, but will develop a charge distribution reflecting the symmetry of the array. In the quantum limit, the competition between the kinetic energy and Coulomb energy allows for a transition between unpolarized and polarized states as a function of the ring parameters. This allows for a new class of polarizable materials whose transitions are based on geometry, rather than a structural transition in a unit cell.

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arXiv2002

Goldstone mode kink-solitons in double layer quantum Hall systems

It is shown that in charge unbalanced double layer quantum Hall system with zero tunneling pseudospin Goldstone mode excitations form moving kink-soliton in weakly nonlinear limit. This charge-density localization moves with a velocity of gapless linear spin-wave mode and could be easily observed experimentally. We claim that mentioned Goldstone mode kink-solitons define diffusionless charge transport properties in double layer quantum Hall systems.

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