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Abstract: Molecular nanomagnets show clear signatures of coherent behavior and have awide variety of effective low-energy spin Hamiltonians suitable for encodingqubits and implementing spin-based quantum information processing. At thenanoscale, the preferred mechanism for control of quantum systems is throughapplication of electric fields, which are strong, can be locally applied, andrapidly switched. In this work, we provide the theoretical tools for the searchfor single molecule magnets suitable for electric control. By group-theoreticalsymmetry analysis we find that the spin-electric coupling in triangularmolecules is governed by the modification of the exchange interaction, and ispossible even in the absence of spin-orbit coupling. In pentagonal moleculesthe spin-electric coupling can exist only in the presence of spin-orbitinteraction. This kind of coupling is allowed for both $s=1-2$ and $s=3-2$spins at the magnetic centers. Within the Hubbard model, we find a relationbetween the spin-electric coupling and the properties of the chemical bonds ina molecule, suggesting that the best candidates for strong spin-electriccoupling are molecules with nearly degenerate bond orbitals. We alsoinvestigate the possible experimental signatures of spin-electric coupling innuclear magnetic resonance and electron spin resonance spectroscopy, as well asin the thermodynamic measurements of magnetization, electric polarization, andspecific heat of the molecules.

Autor: Mircea Trif, Filippo Troiani, Dimitrije Stepanenko, Daniel Loss

Fuente: https://arxiv.org/

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