Related papers: Beyond spin models in orbitally-degenerate open-sh…
The quantum-mechanical orbitals in carbon nanotubes are doubly degenerate over a large number of states in the Coulomb blockade regime. We argue that this experimental observation indicates that electrons are reflected without mode mixing…
The electric-field effect on the electronic and magnetic properties of triangular and hexagonal graphene quantum rings with zigzag edge termination is investigated by means of the single-band tight-binding Hamiltonian and the mean-field…
We present a novel comprehensive first-principles theoretical study of the electronic properties and relative stabilities of edge-oxidized zigzag graphene nanoribbons. The oxidation schemes considered include hydroxyl, carboxyl, ether, and…
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…
Triangulene nanographenes are open-shell molecules with predicted high spin state due to the frustration of their conjugated network. Their long-sought synthesis became recently possible over a metal surface. Here, we present a macrocycle…
We study the evolution of spin-orbital correlations in an inhomogeneous quantum system with an impurity replacing a doublon by a holon orbital degree of freedom. Spin-orbital entanglement is large when spin correlations are…
The paper discusses the influence of the external in-plane electric and magnetic field on the ground state spin phase diagram of selected monolayer graphene nanostructures. The calculations are performed for triangular graphene nanoflakes…
Gated heterostructures containing bilayer graphene with staggered sublattice potentials are investigated by tight binding model with Rashba spin-orbital coupling and Hubbard interaction. The topological phase diagrams depend on the…
The introduction of spin-orbit interactions (SOIs) and the subsequent appearance of a two-dimensional (2D) topological phase are crucial for voltage-controlled and zero-emission energy spintronic devices. In contrast, graphene basically…
We propose a unique way to control both bandgap and the magnetic properties of nanoscale graphene, which might prove highly beneficial for application in nanoelectronic and spintronic devices. We have shown that chemical doping by nitrogen…
In this work spin transport in corrugated armchair graphene nanoribbons (AGNR) is studied. We survey combined effects of spin-orbit interaction and surface roughness, employing the non-equilibrium Green's function formalism and four…
We study the spin-dependent electronic excitations in alkali-metal nanoparticles. Using numerical and analytical approaches, we focus on the resonances in the response to spin-dependent dipole fields. In the spin-dipole absorption spectrum…
The optical excitations of elongated graphene nanoflakes of finite length are investigated theoretically through quantum chemistry semi-empirical approaches. The spectra and the resulting dipole fields are analyzed, accounting in full…
The spin-dependent transport properties of armchair graphene nanoribbons in the presence of extrinsic spin-orbit coupling induced by a random distribution of Nickel adatoms is studied. By combining a recursive Green's function formalism…
Spin and angular momenta of light are important degrees of freedom in nanophotonics which control light propagation, optical forces and information encoding. Typically, optical angular momentum is generated using q-plates or spatial light…
We study the ground state properties of an ABA-stacked trilayer graphene. The low energy band structure can be described by a combination of both a linear and a quadratic particle-hole symmetric dispersions, reminiscent of monolayer- and…
Polyradical nanographenes featuring strong spin entanglement and robust many-body spin states against external magnetic perturbations not only enable the exploration of correlated quantum magnetism at the molecular scale, but also…
We introduce and study a minimum two-orbital Hubbard model on a triangular lattice, which captures the key features of both the trilayer ABC-stacked graphene-boron nitride heterostructure and twisted transition metal dichalcogenides in a…
We present a theoretical study of the low-energy physics of a quarter-hole-filled two-orbital bilayer Hubbard model motivated by transition-metal bilayer systems with strong orbital-selective interlayer hybridization. By explicitly treating…
The on-surface synthesis of nano-graphenes has led the charge in prototyping structures with perspectives beyond silicon-based technology. Following reports of open-shell systems in graphene-nanoribbons (GNR), a flurry of research…