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We investigate theoretically the hyperfine-induced dephasing of two-electron-spin states in a double quantum dot with a finite singlet-triplet splitting J. In particular, we derive an effective pure dephasing Hamiltonian, which is valid…

Mesoscale and Nanoscale Physics · Physics 2013-08-29 Jo-Tzu Hung , Łukasz Cywiński , Xuedong Hu , S. Das Sarma

Recent experiments in the two dimensional electron systems in silicon MOSFETs have shown that the in-plane magnetic field $H_{sat}$ required to saturate the conductivity to its high-field value and the magnetic field $H_s$ needed to…

Strongly Correlated Electrons · Physics 2009-11-07 S. A. Vitkalov , M. P. Sarachik , T. M. Klapwijk

A spin qubit in semiconductor quantum dots holds promise for quantum information processing for scalability and long coherence time. An important semiconductor qubit system is a double quantum dot trapping two electrons or holes, whose spin…

Mesoscale and Nanoscale Physics · Physics 2021-09-07 Peihao Huang

According to the Hohenberg-Kohn theorem of density-functional theory (DFT), all observable quantities of systems of interacting electrons can be expressed as functionals of the ground-state density. This includes, in principle, the spin…

Strongly Correlated Electrons · Physics 2019-09-04 Carsten A. Ullrich

The interaction between electronic and nuclear spins in the presence of external magnetic fields can be described by a spin Hamiltonian, with parameters obtained from first principles, electronic structure calculations. We describe an…

Materials Science · Physics 2019-04-10 Krishnendu Ghosh , He Ma , Vikram Gavini , Giulia Galli

Density functional methods have been applied to calculate the quadrupole splitting of a series of iron(II) spin crossover complexes. Experimental and calculated values are in reasonable agreement. In one case spin-orbit coupling is…

One of the key pathways towards scalability of spin-based quantum computing systems lies in achieving long-range interactions between electrons and increasing their inter-connectivity. Coherent spin transport is one of the most promising…

Understanding the quantum dynamics of spin defects and their coherence properties requires accurate modeling of spin-spin interaction in solids and molecules, for example by using spin Hamiltonians with parameters obtained from…

Materials Science · Physics 2021-02-02 Krishnendu Ghosh , He Ma , Mykyta Onizhuk , Vikram Gavini , Giulia Galli

Electrons in zero external magnetic field can be studied with density functional theory (DFT) or with spin-DFT (SDFT). The latter is normally used for open shell systems because its approximations appear to model better the exchange and…

Chemical Physics · Physics 2022-04-06 Timothy Callow , Benjamin Pearce , Nikitas Gidopoulos

The realisation of quantum computers based on molecular electronic spins requires the design of qubits with very long coherence times, T2. Dephasing can proceed over several different microscopic pathways, active at the same time and in…

Materials Science · Physics 2020-01-08 Alessandro Lunghi , Stefano Sanvito

Quasi-optical experiments are emerging as a powerful technique to probe magnetic transitions in molecular spin systems. However, the simultaneous presence of the electric- and magnetic-dipole induced transitions poses the challenge of…

Mesoscale and Nanoscale Physics · Physics 2026-02-10 Filippo Troiani , Athanassios K. Boudalis

We present an efficient algorithm for one- and two-component relativistic exact-decoupling calculations. Spin-orbit coupling is thus taken into account for the evaluation of relativistically transformed (one-electron) Hamiltonian. As the…

Chemical Physics · Physics 2013-05-10 Daoling Peng , Nils Middendorf , Florian Weigend , Markus Reiher

The energy density method is generalized to include spin polarization with the full formalism derived based on spin-density functional theory, which aims at decomposing the total energy into well-defined atomic energies. The method involves…

Materials Science · Physics 2026-04-27 Yang Dan , Dallas R. Trinkle

We propose a mechanism of coherent coupling between distant spin qubits interacting dipolarly with a ferromagnet. We derive an effective two-spin interaction Hamiltonian and estimate the coupling strength. We discuss the mechanisms of…

Mesoscale and Nanoscale Physics · Physics 2013-12-12 Luka Trifunovic , Fabio L. Pedrocchi , Daniel Loss

Precise control of quantum systems is of fundamental importance for quantum device engineering, such as is needed in the fields of quantum information processing, high-resolution spectroscopy and quantum metrology. When scaling up the…

Molecular nanomagnets show clear signatures of coherent behavior and have a wide variety of effective low-energy spin Hamiltonians suitable for encoding qubits and implementing spin-based quantum information processing. At the nanoscale,…

Mesoscale and Nanoscale Physics · Physics 2013-05-29 Mircea Trif , Filippo Troiani , Dimitrije Stepanenko , Daniel Loss

We investigate hyperfine induced electron spin and entanglement dynamics in a system of two quantum dot spin qubits. We focus on the situation of zero external magnetic field and concentrate on approximation-free theoretical methods. We…

Mesoscale and Nanoscale Physics · Physics 2010-07-02 Bjoern Erbe , John Schliemann

Substitutional donor atoms in silicon are promising qubits for quantum computation with extremely long relaxation and dephasing times demonstrated. One of the critical challenges of scaling these systems is determining inter-donor distances…

Quantum computation and simulation requires strong coherent coupling between qubits, which may be spatially separated. Achieving this coupling for solid-state based spin qubits is a long-standing challenge. Here we theoretically investigate…

Quantum Physics · Physics 2021-10-04 Yoav Romach , Tal Wasserman , Shai Tishby , Nir Bar-Gill

We investigate the sensitivity of a recently proposed method for precision measurement [Phys. Rev. Lett. 106, 140502 (2011)], focusing on an implementation based on solid-state spin systems. The scheme amplifies a quantum sensor response to…

Quantum Physics · Physics 2013-02-26 P. Cappellaro , G. Goldstein , J. S. Hodges , L. Jiang , J. R. Maze , A. S. Sørensen , M. D. Lukin
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