Related papers: Boundary Ferromagnetism in Zigzag Edged Graphene
The mean-field Hubbard model is used to investigate the formation of the antiferromagnetic phase in hexagonal graphene rings with inner zigzag edges. The outer edge of the ring was taken to be either zigzag or armchair, and we found that…
Realizing controllable room-temperature ferromagnetism in carbon-based materials is one of recent prospects. The magnetism in graphene nanostructures reported previously is mostly formed near the vacancies, zigzag edges, or impurities by…
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…
We study the edge physics of gapped quantum systems in the framework of Projected Entangled Pair State (PEPS) models. We show that the effective low-energy model for any region acts on the entanglement degrees of freedom at the boundary,…
At a magic relative twist angle, magic angle twisted bilayer graphene (MATBG) has an octet of flat bands that can host strong correlation physics when partially filled. A key theoretical discovery in MATBG is the existence of ferromagnetic…
Interaction in a flat band is magnified due to the divergence in the density of states, which gives rise to a variety of many-body phenomena such as ferromagnetism and Wigner crystallization. Until now, however, most studies of the flat…
Graphene subject to a strong, tilted magnetic field exhibits an insulator-metal transition tunable by tilt-angle, attributed to the transition from a canted antiferromagnetic (CAF) to a ferromagnetic (FM) bulk state at filling factor zero.…
Vibrational properties of graphene nanoribbons are examined with density functional based tight-binding method and non-resonant bond polarization theory. We show that the recently discovered reconstructed zigzag edge can be identified from…
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…
In this article, we study zigzag graphene nanoribbons with edges reconstructed with Stone-Wales defects, by means of an empirical (first-neighbor) tight-binding method, with parameters determined by ab-initio calculations of very narrow…
Graphene based nanostructures exhibit flat electronic energy bands in their single-particle spectrum. We consider interacting electrons in flat bands of zig-zag nanoribbons. We present a protocol for flat-band projection that yields…
Strongly correlated materials feature multiple electronic orbitals which are crucial to accurately understand their many-body properties, from cuprate materials to twisted bilayer graphene. In such multi-band models, quantum interference…
It has been known that edge states of a graphite ribbon are zero-energy, localized eigen-states. We show that next nearest-neighbor hopping process decreases the energy of the edge states at zigzag edge with respect to the Fermi energy. The…
We study two models of correlated bond- and site-disorder on the kagome lattice considering both translationally invariant and completely disordered systems. The models are shown to exhibit a perfectly flat ground state band in the presence…
It is known that zigzag graphene edge is able to support edge states: there is a non-dispersive single-electron band localized near the zigzag edge. However, it is generally believed that no edge states exist near the armchair edge. In this…
Recent experiments indicate room-temperature ferromagnetism in graphite-like materials. This paper offers multiple spin state analysis applied to asymmetric graphene molecule to find out mechanism of ferromagnetic nature. First principle…
We derive the exact ground states for a one dimensional family of $S=1/2$ XXZ Hamiltonians on the zigzag ladder. These states exhibit true long range spiral order that spontaneously breaks the U(1) invariance of the Hamiltonian. Besides…
We investigate the ground-state properties of triangular graphene nanoflakes with zigzag edge configurations. The description of zero-dimensional nanostructures requires accurate many-body techniques since the widely used density-functional…
The frustrated spin-1/2 chain with weakly anisotropic ferromagnetic nearest-neighbor and antiferromagnetic next-nearest-neighbor exchanges is studied. We focus on the excitation spectrum and the low-temperature thermodynamics in the…
We determine the stability, the geometry, the electronic and magnetic structure of hydrogen-terminated graphene-nanoribbons edges as a function of the hydrogen content of the environment by means of density functional theory.…