Related papers: First-principles investigation of spin-phonon coup…
The unique electronic and magnetic properties of Lanthanides molecular complexes place them at the forefront of the race towards high-temperature single-ion magnets and magnetic quantum bits. The design of compounds of this class has so far…
While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…
The neutral divacancy and the negatively charged nitrogen-vacancy defects in 4H-silicon carbide (SiC) are two of the most prominent candidates for functioning as room-temperature quantum bits (qubits) with telecommunication-wavelength…
The realization of spin-based logical gates crucially depends on magnetically-coupled spin qubits. Thus, understanding decoherence when spin qubits are in close proximity will become a roadblock to overcome. Herein, we provide a general…
The usefulness of solid-state spins in quantum technologies depends on how long they can remain in a coherent superposition of quantum states. This Colloquium discusses how first-principles simulations can predict spin dynamics for…
We have calculated spin relaxation rates in parabolic quantum dots due to the phonon modulation of the spin-orbit interaction in presence of an external magnetic field. Both, deformation potential and piezoelectric electron-phonon coupling…
Spin-lattice relaxation theory has been developed over almost a century, but some cardinal assumptions on the nature of the interactions involved have never been fully verified. This includes the weak coupling approximation, which makes it…
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…
Molecular electron spin qubits offer atomic-level tunability and room-temperature quantum coherence. Their integration into engineered solid-state matrices can enhance performance towards ambient quantum information technologies. Herein, we…
Using X-band pulsed electron spin resonance, we report the intrinsic spin-lattice ($T_1$) and phase coherence ($T_2$) relaxation times in molecular nanomagnets for the first time. In Cr$_7M$ heterometallic wheels, with $M$ = Ni and Mn,…
The lattice dynamic properties and spin-phonon coupling in DyMn$_2$O$_5$ are studied by using the density-functional theory. The calculated phonon frequencies are in very good agreement with experiments. We then compare the phonon modes…
Spin relaxation in a quantum Hall ferromagnet, where filling is $\nu=1, 1/3, 1/5,...$, can be considered in terms of spin wave annihilation/creation processes. Hyperfine coupling with the nuclei of the GaAs matrix provides spin…
Understanding the spin dephasing mechanism is of fundamental importance in all potential applications of the spin qubit. Here we demonstrate a spin dephasing mechanism in semiconductor quantum dot due to the $1/f$ charge noise. The…
In computational chemistry of molecular materials, strong static correlation effects appear when electronic states, often involving the ground state, become quasi-degenerate, as occurs, for example, in bond-breaking processes. Such…
Long-range quantum communication for spin qubits is an important open problem. Here we study decoherence of an electron spin qubit that is being transported in a moving quantum dot. We focus on spin decoherence due to spin-orbit interaction…
Electron spin states of solid-state defects such as Nitrogen- and Silicon-vacancy {\em color centers} in diamond are a leading quantum-memory candidate for quantum communications and computing. Via open-quantum-systems modeling of…
Interacting spin systems in solids underpin a wide range of quantum technologies, from quantum sensors and single-photon sources to spin-defect-based quantum registers and processors. We develop a quantum-computer-aided framework for…
Molecular spin qubits are promising candidates for quantum technologies, but their performance is limited by decoherence arising from diverse mechanisms. The complexity of the environment makes it challenging to identify the main source of…
Semiconductor qubits are appealing for building quantum processors as they may be densely integrated due to small footprint. However, a high density raises the issue of noise correlated across different qubits, which is of practical concern…
An electron spin qubit in a silicon donor atom is a promising candidate for quantum information processing because of its long coherence time. To be sensed with a single-electron transistor, the donor atom is usually located near an…