Abstract

First-principles calculations of the electronic ground state in tantalum arsenide are combined with tight-binding calculations of the field dependence of its transport model equivalent on the graphene monolayer to study the emergence of topologically ordered quantum states, and to obtain topological phase diagrams. Our calculations include the degrees of freedom for nuclear, electronic, and photonic interactions explicitly within the quasistatic approximation to the time-propagation-dependent density functional theory. This field-theoretic approach allows us to determine the non-linear response of the ground state density matrix to the applied electromagnetic field at distinct quantum phase transition points. Our results suggest the existence of a facile electronic switch between trivial and topologically ordered quantum states that may be realizable through the application of a perpendicular electric or magnetic field alongside a staggered-sublattice potential in the underlying lattice. Signatures of the near field electrodynamics in nanoclusters show the formation of a quantum fluid phase at the topological quantum phase transition points. The emergent carrier density wave transport phase is discussed to show that transmission through the collective excitation mode in multilayer heterostructures is a unique possibility in plasmonic, optoelectronic, and photonic applications when atomic clusters of Dirac materials are integrated within nanostructures, as patterned or continuous surfaces.

Highlights

  • We present combined first principles and field-theoretic calculations of the electrodynamic signatures of carriers at characteristic energies at which distinct topological phase transitions occur in Dirac materials

  • We have performed field-theoretical computations based on the combination of first-principles calculations with time-dependent density functional theory to study the carrier transport phases that emerge from the optical excitation of the electronic structure in tantalum arsenide (TaAs) and graphene as prototypical models of Dirac materials

  • The dynamic properties of the topologically ordered carrier transport phases are unraveled in terms of the field-induced modifications of the electronic structure under the renormalization constraint from the drive field

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Summary

Introduction

Publisher’s Note: MDPI stays neutral with regard to jurisdictional claims in published maps and institutional affiliations. Nanomaterials 2021, 11, 2914 employed here to study the dependence of the magnitude of the emergent bandgap on-field tuning parameters These emergent quantum transport phases are practically realizable using engineered multilayer material platforms when Dirac materials are incorporated into stacked multilayer heterostructures in their 2D or monolayer form. This is because their chiral edge and surface electron states are topologically protected against perturbations, permitting topological spintronics and optoelectronics. The long-ranged disorder in multilayer heterostructures means that alternative strategies for using heterostructures as the platform for realizing coherent current must be developed We identify such strategies by developing a rational understanding of the topological electron states and their topological quantum phase transitions (TQPTs) for emerging applications in photonics, optoelectronics, and spintronics.

First-Principles Calculations
Emergence of Topological Order in Electronic Phases
Time-Propagation TDDFT of the Topological Electronic Phase
Renormalized Electronic Ground State
Characterizing the Topological Order and Quantum Phase Transitions
Tuning the Topological Order Using Material-Dependent Potentials
Optoelectronic Properties
Near-Field Electrodynamics of Topological Electronic Phases
Optical Photoabsorption
Conclusions
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