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arXiv:2210.15747 · Physical Review A

Scattering solution of an interacting Hamiltonian for the electronic control of molecular spin qubits

Christian Bunker, Silas Hoffman, Jie-Xiang Yu, X.-G. Zhang, Hai‐Ping Cheng

Published Apr 17, 2023• 2 citations
arXivHTMLPDF

Abstract

We theoretically study how a scattered electron can entangle molecular spin qubits (MSQs). This requires solving the inelastic transport of a single electron through a scattering region described by a tight-binding interacting Hamiltonian. We accomplish this using a Green's-function solution. We can model realistic physical implementations of MSQs by parametrizing the tight-binding Hamiltonian with first-principles descriptions of magnetic anisotropy and exchange interactions. We find that, for two-MSQ systems with inversion symmetry, projective measurement of the spin degree of freedom of the scattered electron offers probabilistic control of the degree of entanglement between the MSQs.

DOI
10.1103/physreva.107.042423

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We theoretically study how a scattered electron can entangle molecular spin qubits (MSQs). This requires solving the inelastic transport of a single electron through a scattering region described by a tight-binding interacting Hamiltonian. We accomplish this using a Green's-function solution. We can model realistic physical implementations of MSQs by parametrizing the tight-binding Hamiltonian with first-principles descriptions of magnetic anisotropy and exchange interactions. We find that, for two-MSQ systems with inversion symmetry, projective measurement of the spin degree of freedom of the scattered electron offers probabilistic control of the degree of entanglement between the MSQs.
While molecular spin qubits (MSQs) are a promising platform for quantum computing, read-out has been largely limited to electron paramagnetic resonance which is often slow and requires a global system drive. Moreover, because one prerequisite for the Elzerman and Pauli spin blockade readout mechanisms typical of semiconductor spin qubits is tunneling of electrons between sites, these read-out modalities are unavailable in MSQs. Here, we theoretically demonstrate electrical read-out of entangled MSQs via driven many-electron spin unpolarized currents. In particular, using a time-dependent density matrix renormalization group approach we simulate a maximally entangled MSQ pair between two electronic leads. Driving itinerant electrons between the two leads, we find that the conductance is greater when the MSQs are in the entangled singlet state as compared to the entangled triplet state. This contrast in conductance is enhanced when the electronic density of states at the Fermi energy is large and for narrow bandwidth. Our results are readily applicable to molecules supramolecularly functionalizing semiconductors with relatively flat bands such as single-wall carbon nanotubes under a magnetic field.
The possibility of generating entanglement between two solid-state electron spin-qubits by spin-dependent scattering of a third, propagating electron is attractive. A process of this kind could work well beyond the range of the direct interaction between the two spins. In this study, the binding of electrons in one-dimensional structures is theoretically modeled using a real-space analog of the Anderson model. The respective binding sites are arranged in two different geometries. The first is a straightforward series arrangement, and the second a parallel arrangement in which the binding sites are embedded in either arm of an Aharonov-Bohm style ring. For the series arrangement, the entanglement between the bound electrons is calculated and is shown to be low (concurrence <0.2<0.2<0.2) in all regions of significant transmission. In contrast, the parallel arrangement allows full entanglement to be generated from a ${S}_{z}=1(\ensuremath{\mid}\ensuremath{\uparrow}\ensuremath{\uparrow}⟩)$ or ${S}_{z}=0(\ensuremath{\mid}\ensuremath{\uparrow}\ensuremath{\downarrow}⟩)$ starting configuration with an overall probability of success up to 0.5.
We present a model where two magnetic impurities in a discrete tight-binding ring become entangled because of scattering processes associated to the injection of a conduction electron. We introduce a weak-coupling approximation that allows us to solve the problem in an analytical way and compare the theory with the exact numerical results. We obtain the generation of entanglement both in a deterministic way and in a probabilistic one. The first case is intrinsically related to the structure of the two-impurity reduced density matrix, while the second one occurs when a projection on the electron state is performed.
In this study, a formal definition, robustness analysis and discussion on the control of a position-based semiconductor charge qubit are presented. Such a qubit can be realized in a chain of coupled quantum dots, forming a register of charge-coupled transistor-like devices, and is intended for CMOS implementation in scalable quantum computers. We discuss the construction and operation of this qubit, its Bloch sphere, and relation with maximally localized Wannier functions which define its position-based nature. We then demonstrate how to build a tight-binding model of single and multiple interacting qubits from first principles of the Schrödinger formalism. We provide all required formulae to calculate the maximally localized functions and the entries of the Hamiltonian matrix in the presence of interaction between qubits. We use three illustrative examples to demonstrate the electrostatic interaction of electrons and discuss how to build a model for many-electron (qubit) system. To conclude this study, we show that charge qubits can be entangled through electrostatic interaction.
We show how the spin independent scattering of two initially distant qubits, say, in distinct traps or in remote sites of a lattice, can be used to implement an entangling quantum gate between them. The scattering takes place under 1D confinement for which we consider two different scenarios: a 1D wave-guide and a tight-binding lattice. We consider models with contact-like interaction between two fermionic or two bosonic particles. A qubit is encoded in two distinct spins (or other internal) states of each particle. Our scheme enables the implementation of a gate between two qubits which are initially too far to interact directly, and provides an alternative to photonic mediators for the scaling of quantum computers. Fundamentally, an interesting feature is that "identical particles" (e.g., two atoms of the same species) and the 1D confinement, are both necessary for the action of the gate. Finally, we discuss the feasibility of our scheme, the degree of control required to initialize the wave-packets momenta, and show how the quality of the gate is affected by momentum distributions and initial distance. In a lattice, the control of quasi-momenta is naturally provided by few local edge impurities in the lattice potential.
We show how the spin independent scattering of two initially distant qubits, say, in distinct traps or in remote sites of a lattice, can be used to implement an entangling quantum gate between them. The scattering takes place under 1D confinement for which we consider two different scenarios: a 1D wave-guide and a tight-binding lattice. We consider models with contact-like interaction between two fermionic or two bosonic particles. A qubit is encoded in two distinct spins (or other internal) states of each particle. Our scheme enables the implementation of a gate between two qubits which are initially too far to interact directly, and provides an alternative to photonic mediators for the scaling of quantum computers. Fundamentally, an interesting feature is that "identical particles" (e.g., two atoms of the same species) and the 1D confinement, are both necessary for the action of the gate. Finally, we discuss the feasibility of our scheme, the degree of control required to initialize the wave-packets momenta, and show how the quality of the gate is affected by momentum distributions and initial distance. In a lattice, the control of quasi-momenta is naturally provided by few local edge impurities in the lattice potential.