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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 different regimes. This makes the rationalisation of the dephasing process not straightforward. Here we present a computational methodology able to address spin decoherence processes for a general ensemble of spins. The method consists in the propagation of the unitary quantum spin dynamics on a reduced Hilbert space. Then we study the dependence of spin dephasing over the magnetic dilution for a crystal of Vanadyl-based molecular qubits. Our results show the importance of long-range electronic spin-spin interactions and their effect on the shape of the spin-echo signal.
Paramagnetic molecules can show long spin-coherence times, which make them good candidates as quantum bits. Reducing the efficiency of the spin-phonon interaction is the primary challenge towards achieving long coherence times over a wide temperature
Molecular electronic spins represent one of the most promising building blocks for the design of quantum computing architectures. However, the advancement of this technology requires the increase of spin lifetime at ambient temperature. Spin-phonon c
In this paper, we study the electron spin decoherence of single defects in silicon carbide (SiC) nuclear spin bath. We find that, although the natural abundance of $^{29}rm{Si}$ ($p_{rm{Si}}=4.7%$) is about 4 times larger than that of $^{13}{rm C}$ (
Spin relaxation and decoherence is at the heart of spintronics and spin-based quantum information science. Currently, theoretical approaches that can accurately predict spin relaxation of general solids including necessary scattering pathways and cap
The coupling between electronic spins and lattice vibrations is fundamental for driving relaxation in magnetic materials. The debate over the nature of spin-phonon coupling dates back to the 40s, but the role of spin-spin, spin-orbit and hyperfine in