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Bulletin of the Australian Mathematical Society

Advances in quantum waveguide dynamics, with applications to physical and biological nanostructures

Iain John Clark

Published Dec 1, 1997• 1 citation
Publisher

Abstract

Advances in quantum waveguide dynamics, with applications to physical and biological nanostructuresIAIN JOHN CLARK It is known [1,2] that as semiconductor microstructures get progressively smaller and more free of impurities, it becomes increasingly necessary to use quantum mechanics to describe accurately these systems, which may have features sized between a few and several hundred nanometers.Recent advances in fabrication technology [11] make it feasible to build such nanostructures or mesoscopic systems, as they are known.The term "quantum waveguide" [6] is used to denote a nanostructure which acts as a conducting wire, along which a wavefunction is guided to move by the boundary conditions.Unlike classical wires, curved quantum waveguides have curvature-induced bound states; see [6] for a recent review.This has implications for nanoelectronic circuit design, since the curvature-induced bound states will appear as resonances.However, the effect of torsion (where the waveguide twists out of a plane) and twisting (where the waveguide changes its orientation along its path) upon bound states has attracted little investigation, and is the motivation for the analysis in this work.This thesis develops a unified mathematical approach by which the energy spectrum of a quantum waveguide with curvature and torsion can be analysed, for any crosssectional geometry that remains uniform along the waveguide.Following the introduction and literature review of Chapter 1, a non-relativistic Hamiltonian H for a particle on a quantum waveguide is set up in Chapter 2. A system of curvilinear coordinates is used to express Schrodinger's equation using the Laplace-Beltrami operator V 2 .The metric tensor G is expressed as the product of a curvaturedependent matrix F and the metric tensor G for a "straightened-out" waveguide.The Hamiltonian H is then shown to be unitarily equivalent to the Hamiltonian Hy for a straightened-out waveguide plus interaction terms, Hy -H o + Ky + Vu, where H o is the Hamiltonian for a "straightened-out" waveguide, Ky is a kinetic energy perturbation term and Vu is an effective potential.In Chapter 3, the spectral theory needed to investigate the curvature-induced bound states is developed.The spectrum of a Hamiltonian is partitioned into the

DOI
10.1017/s0004972700031348

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Advances in quantum waveguide dynamics, with applications to physical and biological nanostructuresIAIN JOHN CLARK It is known [1,2] that as semiconductor microstructures get progressively smaller and more free of impurities, it becomes increasingly necessary to use quantum mechanics to describe accurately these systems, which may have features sized between a few and several hundred nanometers.Recent advances in fabrication technology [11] make it feasible to build such nanostructures or mesoscopic systems, as they are known.The term "quantum waveguide" [6] is used to denote a nanostructure which acts as a conducting wire, along which a wavefunction is guided to move by the boundary conditions.Unlike classical wires, curved quantum waveguides have curvature-induced bound states; see [6] for a recent review.This has implications for nanoelectronic circuit design, since the curvature-induced bound states will appear as resonances.However, the effect of torsion (where the waveguide twists out of a plane) and twisting (where the waveguide changes its orientation along its path) upon bound states has attracted little investigation, and is the motivation for the analysis in this work.This thesis develops a unified mathematical approach by which the energy spectrum of a quantum waveguide with curvature and torsion can be analysed, for any crosssectional geometry that remains uniform along the waveguide.Following the introduction and literature review of Chapter 1, a non-relativistic Hamiltonian H for a particle on a quantum waveguide is set up in Chapter 2. A system of curvilinear coordinates is used to express Schrodinger's equation using the Laplace-Beltrami operator V 2 .The metric tensor G is expressed as the product of a curvaturedependent matrix F and the metric tensor G for a "straightened-out" waveguide.The Hamiltonian H is then shown to be unitarily equivalent to the Hamiltonian Hy for a straightened-out waveguide plus interaction terms, Hy -H o + Ky + Vu, where H o is the Hamiltonian for a "straightened-out" waveguide, Ky is a kinetic energy perturbation term and Vu is an effective potential.In Chapter 3, the spectral theory needed to investigate the curvature-induced bound states is developed.The spectrum of a Hamiltonian is partitioned into the
We investigate the quantum mechanics of a single particle constrained to move along an arbitrary smooth reference curve by a confinement that is allowed to vary along the waveguide. The Schr\"odinger equation is evaluated in the adapted coordinate frame and a transverse-mode decomposition is performed, taking into account both curvature and torsion effects and the possibility of a cross-section potential that changes along the curve in an arbitrary way. We discuss the adiabatic structure of the problem, and examine nonadiabatic couplings that arise due to the curved geometry, the varying transverse profile, and their interplay. The exact multimode matrix Hamiltonian is taken as the natural starting point for few-mode approximations. Such approximate equations are provided, and it is worked out how these recover known results for twisting waveguides and can be applied to other types of waveguide designs. The quantum waveguide Hamiltonian is recast into a form that clearly illustrates how it generalizes the Born-Oppenheimer Hamiltonian encountered in molecular physics. In analogy to the latter, we explore the local gauge structure inherent to the quantum waveguide problem and suggest the usefulness of diabatic states, giving an explicit construction of the adiabatic-to-diabatic basis transformation.
In this paper, we present a geometric perspective on how to quantify the bending and the twisting of quantum curves traced by state vectors evolving under nonstationary Hamiltonians. Specifically, relying on the existing geometric viewpoint for stationary Hamiltonians, we discuss the generalization of our theoretical construct to time-dependent quantum-mechanical scenarios where both time-varying curvature and torsion coefficients play a key role. Specifically, we present a quantum version of the Frenet–Serret apparatus for a quantum trajectory in projective Hilbert space traced out by a parallel-transported pure quantum state evolving unitarily under a time-dependent Hamiltonian specifying the Schrödinger evolution equation. The time-varying curvature coefficient is specified by the magnitude squared of the covariant derivative of the tangent vector [Formula: see text] to the state vector [Formula: see text] and measures the bending of the quantum curve. The time-varying torsion coefficient, instead, is given by the magnitude squared of the projection of the covariant derivative of the tangent vector [Formula: see text] to the state vector [Formula: see text], orthogonal to [Formula: see text] and [Formula: see text] and, in addition, measures the twisting of the quantum curve. We find that the time-varying setting exhibits a richer structure from a statistical standpoint. For instance, unlike the time-independent configuration, we find that the notion of generalized variance enters nontrivially in the definition of the torsion of a curve traced out by a quantum state evolving under a nonstationary Hamiltonian. To physically illustrate the significance of our construct, we apply it to an exactly soluble time-dependent two-state Rabi problem specified by a sinusoidal oscillating time-dependent potential. In this context, we show that the analytical expressions for the curvature and torsion coefficients are completely described by only two real three-dimensional vectors, the Bloch vector that specifies the quantum system and the externally applied time-varying magnetic field. Although we show that the torsion is identically zero for an arbitrary time-dependent single-qubit Hamiltonian evolution, we study the temporal behavior of the curvature coefficient in different dynamical scenarios, including off-resonance and on-resonance regimes and, in addition, strong and weak driving configurations. While our formalism applies to pure quantum states in arbitrary dimensions, the analytic derivation of associated curvatures and orbit simulations can become quite involved as the dimension increases. Thus, finally we briefly comment on the possibility of applying our geometric formalism to higher-dimensional qudit systems that evolve unitarily under a general nonstationary Hamiltonian.
A classical particle under spatial constraints is strictly confined to live on a specific space manifold or path, but this assumption is incompatible with the zero-point fluctuations of a quantum particle. One way to describe quantum mechanics under constraints is the confinement potential approach (CPA). For a non-relativistic particle, the CPA maps the problem onto the solution of a Schrödinger-type equation in an isometrically embedded Riemannian submanifold of Euclidean space while the motion along orthogonal directions are decoupled and spatially confined. This approach respects quantum uncertainty, and one of its key results is the appearance of geometry- and metric-induced potentials that affect the stationary states and the dynamics of the particle. For particles constrained to different spaces, such as structures hosting sharp bents, vertices, wedges, conical apices, tips, or self-intersections, a formalism beyond the CPA is needed. Here, a step towards a CPA extension for irregular spaces is presented. After classifying the possible geometric irregularities concerning the CPA formalism, the presentation is focused on a sharply bent quantum wire modeled as an embedded curve with singular (but absolute integrable) curvature. For a subclass fulfilling the additional requirement that the geometric potential is a distribution of first order, a solution scheme for the confined Schrödinger equation is presented based on singular Sturm-Liouville theory and operator theoretic methods. The analytical considerations and numerical simulations evidence the existence of curvature-induced bound states with non-differentiable wave functions localized around the singular point, with an extension well beyond the singularity. Furthermore, a multitude of scattering states appear that may affect the transport and optical properties of the system.
It is known that the Frenet–Serret apparatus of a space curve in three-dimensional Euclidean space determines the local geometry of curves. In particular, the Frenet–Serret apparatus specifies important geometric invariants, including the curvature and the torsion of a curve. It is also acknowledged in quantum information science that low complexity and high efficiency are essential features to achieve when cleverly manipulating quantum states that encode quantum information about a physical system. In this paper, we propose a geometric perspective on how to quantify the bending and the twisting of quantum curves traced by dynamically evolving state vectors. Specifically, we propose a quantum version of the Frenet–Serret apparatus for a quantum trajectory in projective Hilbert space traced by a parallel-transported pure quantum state evolving unitarily under a stationary Hamiltonian specifying the Schrödinger equation. Our proposed constant curvature coefficient is given by the magnitude squared of the covariant derivative of the tangent vector [Formula: see text] to the state vector [Formula: see text] and represents a useful measure of the bending of the quantum curve. Our proposed constant torsion coefficient, instead, is defined in terms of the magnitude squared of the projection of the covariant derivative of the tangent vector [Formula: see text], orthogonal to both [Formula: see text] and [Formula: see text]. The torsion coefficient provides a convenient measure of the twisting of the quantum curve. Remarkably, we show that our proposed curvature and torsion coefficients coincide with those existing in the literature, although introduced in a completely different manner. Interestingly, not only we establish that zero curvature corresponds to unit geodesic efficiency during the quantum transportation in projective Hilbert space, but we also find that the concepts of curvature and torsion help enlighten the statistical structure of quantum theory. Indeed, while the former concept can be essentially defined in terms of the concept of kurtosis, the positivity of the latter can be regarded as a restatement of the well-known Pearson inequality that involves both the concepts of kurtosis and skewness in mathematical statistics. Finally, not only do we present illustrative examples with nonzero curvature for single-qubit time-independent Hamiltonian evolutions for which it is impossible to generate torsion, but we also discuss physical applications extended to two-qubit stationary Hamiltonians that generate curves with both nonzero curvature and nonvanishing torsion traced by quantum states with different degrees of entanglement, ranging from separable states to maximally entangled Bell states. In the Appendix C, we examine the different curvature and torsion characteristics of the three qubit [Formula: see text] and [Formula: see text] states under evolution by a quantum Heisenberg Hamiltonian.