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Polyhedron

AF molecular rings for quantum computation

M. Affronte, Filippo Troiani, Alberto Ghirri, Andrea Candini, Marco Evangelisti, Stefano Carretta, Paolo Maria Santini, G. Amoretti, Stergios Piligkos, Grigore A. Timco, Richard E. P. Winpenny

Published Jul 13, 2005• 8 citations
Publisher
DOI
10.1016/j.poly.2005.03.125

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The substitution of one metal ion in a Cr-based molecular ring with dominant antiferromagnetic couplings allows the engineering of its level structure and ground-state degeneracy. Here we characterize a Cr7Ni molecular ring by means of low-temperature specific-heat and torque-magnetometry measurements, thus determining the microscopic parameters of the corresponding spin Hamiltonian. The energy spectrum and the suppression of the leakage-inducing S mixing render the Cr7Ni molecule a suitable candidate for the qubit implementation, as further substantiated by our quantum-gate simulations.
The quantum phases of two-leg spin-12\frac{1}{2}21​ ladders with skewed rungs are obtained using exact diagonalization of systems with up to 26 spins and by density-matrix renormalization-group calculations to 500 spins. The ladders have isotropic antiferromagnetic (AF) exchange J2>0{J}_{2}>0J2​>0 between first neighbors in the legs, variable isotropic AF exchange J1{J}_{1}J1​ between some first neighbors in different legs, and an unpaired spin per odd-membered ring when ${J}_{1}\ensuremath{\gg}{J}_{2}$. Ladders with skewed rungs and variable J1{J}_{1}J1​ have frustrated AF interactions leading to multiple quantum phases: AF at small J1{J}_{1}J1​, either ferromagnetic or AF at large J1{J}_{1}J1​, as well as bond-order-wave phases or reentrant AF (singlet) phases at intermediate J1{J}_{1}J1​.