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Time reversal symmetry and the geometric phase

Mattias Johnsson

Published Jan 1, 1998• 0 citations
Publisher

Abstract

This thesis examines the quantum-mechanical geometric phase with a view toward time reversal symmetry considerations. The idea of time reversal in quantum mechanics is investigated, disagreements and inconsistencies in the literature are examined, and the action of the time reversal operator is extended to time-dependent Hamiltonians. With this background, and using a definition of time reversal symmetry based on the evolution operator, I demonstrate that the existence of a non-zero geometric phase can in all cases be attributed to a breakdown of time reversal symmetry in some form. This result holds for both adiabatic and nonadiabatic evolutions, and for arbitrary dimensional parameter spaces. I explore the role of the geometric phase in a two-level Kramers system described by a parameter-dependent Hamiltonian such that the two levels can become degenerate for some value of the parameters, and discuss, from a mathematical point of view, the monopole geometric potential that results. I then extend this analysis by considering a pair of Kramers doublets, each doublet degenerate due to time reversal symmetry, where the parameters can be chosen so that each of the pair of doublets becomes degenerate with the other. I find the explicit functional forms for the two resulting nonabelian geometric gauge potentials and show that they can be identified exactly with the only two gauge-inequivalent SU(2) monopole potentials of Yang. Furthermore, following a conformal transformation these potentials can be mapped to those of the SU(2) instanton/anti-instanton pair. Finally I examine the relevance of the geometric phase to the molecular physics of time-odd systems. Time-odd coupling in molecular physics is a much under-studied area, with many potentially interesting results. Specifically I study time-odd coupling in Jahn-Teller systems under the Born-Oppenheimer approximation, where the electronic position states are coupled to the lattice momentum rather than the usual time-even lattice position. As an example I solve the E ⊗ (b₁ ⊕ b₂ ⊕ a₂) Jahn-Teller system exactly, showing that once again monopole-like geometric potentials arise, and comment on how this affects the angular momentum of the lattice subsystem.

DOI
10.26021/7323

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This thesis examines the quantum-mechanical geometric phase with a view toward time reversal symmetry considerations. The idea of time reversal in quantum mechanics is investigated, disagreements and inconsistencies in the literature are examined, and the action of the time reversal operator is extended to time-dependent Hamiltonians. With this background, and using a definition of time reversal symmetry based on the evolution operator, I demonstrate that the existence of a non-zero geometric phase can in all cases be attributed to a breakdown of time reversal symmetry in some form. This result holds for both adiabatic and nonadiabatic evolutions, and for arbitrary dimensional parameter spaces. I explore the role of the geometric phase in a two-level Kramers system described by a parameter-dependent Hamiltonian such that the two levels can become degenerate for some value of the parameters, and discuss, from a mathematical point of view, the monopole geometric potential that results. I then extend this analysis by considering a pair of Kramers doublets, each doublet degenerate due to time reversal symmetry, where the parameters can be chosen so that each of the pair of doublets becomes degenerate with the other. I find the explicit functional forms for the two resulting nonabelian geometric gauge potentials and show that they can be identified exactly with the only two gauge-inequivalent SU(2) monopole potentials of Yang. Furthermore, following a conformal transformation these potentials can be mapped to those of the SU(2) instanton/anti-instanton pair. Finally I examine the relevance of the geometric phase to the molecular physics of time-odd systems. Time-odd coupling in molecular physics is a much under-studied area, with many potentially interesting results. Specifically I study time-odd coupling in Jahn-Teller systems under the Born-Oppenheimer approximation, where the electronic position states are coupled to the lattice momentum rather than the usual time-even lattice position. As an example I solve the E ⊗ (b₁ ⊕ b₂ ⊕ a₂) Jahn-Teller system exactly, showing that once again monopole-like geometric potentials arise, and comment on how this affects the angular momentum of the lattice subsystem.
Time is used in non-relativistic quantum theory as a classical concept. On the one hand, time is the parameter entering Schrödinger's equation and measured by an external laboratory clock. But it could be considered that time also plays the role of an observable when a given event occurs (e.g., when a particle crosses through a potential barrier), and one would expect that like every observable, it should be represented in the theory by an operator whose properties are predictors of the outcome of time measurements made on physical systems. Several time operators have been proposed in different publications, but still, there is not a widely accepted consensus. That subject, among others concerned with time in quantum mechanics, is analyzed in the present chapter, where we focus on the analysis of time-reversal symmetry in non-relativistic quantum systems. The search for symmetries in Physics helps to study the structure of theories. Briefly speaking, a symmetry is a transformation that does not change the structure of the theory. We start with the analysis of Schrödinger’s Equation verifying that for obtaining a time-symmetric description of the dynamics of a particle, the operation of time-reversal must include conjugation represented by the action of an antiunitary operator acting over a wave function. In particular, we analyze quantum systems whose evolution is determined by a set of external parameters varying cyclically, discussing how even though these parameters return to their initial values, the state of the system acquires a geometric phase, which depends on the path followed by the external parameters in the parameter space and which in general can be associated with the lack of the time-reversal symmetry of the system.
Berry’s phase is typically realized in a system consisting of fast and slow variables, when the trajectory of the slow variable makes a closed loop. The quantum mechanical phase picked up by the fast variable while the slow variable traverses the loop has turned out to produce real physical effects through quantum interference. In this article, we investigate origins of Berry’s geometric phase and show that they are in general attributable to the broken time-reversal symmetry of the system. Our analysis leads to the classification of Berry’s phase for Hamiltonian systems in terms of symmetry properties under time-reversal operations. Spontaneous time-reversal symmetry-breaking of state vectors is shown to give rise to Berry’s phase as exemplified by a quantum-mechanical rotated hoop. A system with an explicitly time-reversal symmetry-breaking Hamiltonian is also demonstrated to exhibit nontrivial Berry’s phase. The quantization of the geometric phase associated with the real two-dimensional Hamiltonian having topological singularity is explained within the same framework. The unique role of the time-reversal operator among general antiunitary operators is also discussed.
For ordinary hermitian Hamiltonians, the states show the Kramers degeneracy when the system has a half-odd-integer spin and the time reversal operator obeys \Theta^2=-1, but no such a degeneracy exists when \Theta^2=+1. Here we point out that for non-hermitian systems, there exists a degeneracy similar to Kramers even when \Theta^2=+1. It is found that the new degeneracy follows from the mathematical structure of split-quaternion, instead of quaternion from which the Kramers degeneracy follows in the usual hermitian cases. Furthermore, we also show that particle/hole symmetry gives rise to a pair of states with opposite energies on the basis of the split quaternion in a class of non-hermitian Hamiltonians. As concrete examples, we examine in detail NxN Hamiltonians with N=2 and 4 which are non-hermitian generalizations of spin 1/2 Hamiltonian and quadrupole Hamiltonian of spin 3/2, respectively.
The level crossing problem and associated geometric terms are neatly formulated by the second-quantized formulation. This formulation exhibits a hidden local gauge symmetry related to the arbitrariness of the phase choice of the complete orthonormal basis set. By using this second-quantized formulation, which does not assume adiabatic approximation, a convenient exact formula for the geometric terms including off-diagonal geometric terms is derived. The analysis of geometric phases is then reduced to a simple diagonalization of the Hamiltonian, and it is analyzed both in the operator and path-integral formulations. If one diagonalizes the geometric terms in the infinitesimal neighborhood of level crossing, the geometric phases become trivial (and thus no monopole singularity) for arbitrarily large but finite time interval TTT. The integrability of Schr\"odinger equation and the appearance of the seemingly nonintegrable phases are thus consistent. The topological proof of the Longuet-Higgins' phase-change rule, for example, fails in the practical Born-Oppenheimer approximation where a large but finite ratio of two time scales is involved and TTT is identified with the period of the slower system. The difference and similarity between the geometric phases associated with level crossing and the exact topological object such as the Aharonov-Bohm phase become clear in the present formulation. A crucial difference between the quantum anomaly and the geometric phases is also noted.
The fundamental theory of the geometric phase is summarized in a way suitable for use in molecular systems treated by the Born-Oppenheimer approach. Both Abelian and non-Abelian cases are considered. Applications discussd include the Abelian geometric phase associated with an intersection of two electronic potential-energy surfaces; screening of nuclei by the electrons from an external magnetic field; non-Abelian gauge potentials in molecular systems with Kramers degeneracy; and the coupling between different electronic levels (Born-Oppenheimer breakdown) represented as a gauge potential. Experimental tests for these systems are discussed, as well as a number of experiments on spin systems.
Symmetry under time-reversal appears in the microscopic description of many physical systems. In a quantum mechanical setting it acts as an anti-unitary operator, so does not fall under general analyses based on unitary symmetries. In classifying zero temperature phases of matter in (1+1)d lattice models, the role of anti-unitary symmetries is, however, well-understood. In recent years, the Symmetry Topological Field Theory (SymTFT) approach to this classification has given a general framework to understand symmetries as topological defects, but does not naturally include anti-unitary symmetries. Following recent proposals in the literature, we adopt a symmetry-enriched SymTFT for a theory with both internal and time-reversal symmetry. In particular, we take a standard SymTFT associated with an internal unitary symmetry that is then enriched by a background time-reversal symmetry. A detailed analysis of the topological boundary conditions of this enriched SymTFT allows us to characterize the corresponding (1+1)d gapped phases that preserve the enriching symmetry (i.e. those that do not spontaneously break this symmetry in the ground state). Line operators in the SymTFT approach are related to non-local string-order parameters (with charged end-point operators) for SPT phases. These are subtle in the anti-unitary case and we explore them both on the lattice and in the continuum. We include an analysis of unitary string order parameters that reveal the Klein bottle SPT invariant. On the lattice, we show that the correct end-point charge coincides with the time-reversal-charge only when the end-point operator is hermitian.