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Magnetic nanographenes are emerging as versatile building blocks for artificial spin lattices, enabling the exploration of flagship one-dimensional quantum-magnetism models with unprecedented control. The spin-1 Heisenberg model, including…
Open-shell nanographenes can be covalently bonded and still preserve their local moments, forming interacting spins lattices. In the case of benzenoid nanographenes, the Ovchinnikov-Lieb rules anticipate the spin of the ground state of the…
We investigate from first principles a variety of low-dimensional open quantum spin systems based on magnetic nanographene structures that contain spin-1/2 and spin-1 triangulenes and/or olympicenes. These graphene nanostructures behave as…
Phenalenyl is a radical nanographene with triangular shape that hosts an unpaired electron with spin S = 1/2. The open-shell nature of phenalenyl is expected to be retained in covalently bonded networks. Here, we study a first step in that…
Fractionalization is a phenomenon in which strong interactions in a quantum system drive the emergence of excitations with quantum numbers that are absent in the building blocks. Outstanding examples are excitations with charge e/3 in the…
We study the spin exchange between two electrons localized in separate quantum dots in graphene. The electronic states in the conduction band are coupled indirectly by tunneling to a common continuum of delocalized states in the valence…
Under the second-order degenerate perturbation theory, we show that the physics of $N$ particles with arbitrary spin confined in a one dimensional trap in the strongly interacting regime can be described by super-exchange interaction. An…
Triangulenes are prototypical examples of open-shell nanographenes. Their magnetic properties, arising from the presence of unpaired $\pi$ electrons, can be extensively tuned by modifying their size and shape or by introducing heteroatoms.…
Spin models arise in the microscopic description of magnetic materials, where the macroscopic characteristics are governed by exchange interactions among the constituent magnetic moments. Recently, there has been a growing interest in…
Unlocking the potential of topological order within many-body spin systems has long been a central pursuit in the realm of quantum materials. Despite extensive efforts, the quest for a versatile platform enabling site-selective spin…
Motivated by recent experimental breakthroughs, we propose a strategy to design two-dimensional spin lattices with competing interactions that lead to non-trivial emergent quantum states. We consider $S=1/2$ nanographenes with $C_3$…
We present a computational method to determine the exchange constants in isotropic spin models. The method uses the Hamiltonian and overlap matrices computed from density functional schemes that are based on nonorthogonal basis sets. We…
We study the effect of sublattice symmetry breaking on the electronic, magnetic and transport properties of two dimensional graphene as well as zigzag terminated one and zero dimensional graphene nanostructures. The systems are described…
The spin-1/2 ferromagnetic-antiferromagnetic alternating Heisenberg chain with ferromagnetic next-nearest-neighbour (NNN) interaction is investigated. The ground state is the Haldane phase for weak NNN interaction, and is the ferromagnetic…
Low-dimensional quantum systems host a variety of exotic states, such as symmetry-protected topological ground states in spin-1 Haldane chains. Real-world realizations of such states could serve as practical quantum simulators for quantum…
The Haldane phase is the prototype of symmetry protected topological (SPT) phases of spin chain systems. It can be protected by several symmetries having in common the degeneracy of the entanglement spectrum. Here we explore in depth this…
By bridging graphene and benzene through a well-defined sequence of polycyclic aromatic hydrocarbons and their inherent shell structure, J. Phys. Chem. C, 2018, 122, 17526, it is shown that graphene is actually a coherent arrangement of…
We investigate the isotropic two-leg S=1/2 ladder with general bilinear and biquadratic exchange interactions between spins on neighboring rungs, and determine the Hamiltonians which have a matrix product wavefunction as exact ground state.…
Equilateral triangle-shaped graphene nanoislands with a lateral dimension of $n$ benzene rings are known as $[n]$triangulenes. Individual $[n]$triangulenes are open-shell molecules, with single-particle electronic spectra that host $n-1$…
One dimensional spin 1 systems may have a rich phase diagram including Haldane gap and dimerized phases if the usually very small biquadratic exchange becomes significant. We show that this unlikely condition may be fulfilled in electron…