相关论文: Low-Energy Magnetic States of Tb Adatom on Graphen…

Scanning probe microscopy and spectroscopy, and more recently in combination with electron spin resonance, have allowed the direct observation of electron dynamics on the single-atom limit. The interpretation of data is strongly depending…

We study the rare-earth magnets on a honeycomb lattice, and are particularly interested in the experimental consequences of the highly anisotropic spin interaction due to the spin-orbit entanglement. We perform a high-temperature series…

The nature of the electronic ground states in strained undoped graphene at weak interaction between electrons is discussed. After providing a lattice realization of the strain-induced axial magnetic field we numerically find the…

Twisted double bilayer graphene (tDBLG) is a moir\'e material that has recently generated significant interest because of the observation of correlated phases near the magic angle. We carry out atomistic Hartree theory calculations to study…

Fluorine adatoms on graphene induce local changes in electronic and magnetic properties, and subtle correlation effects. We investigate the GGA and GGA+U approaches as possible solutions to describe the magnetic moment and electronic band…

The adsorption behavior and the magnetic states of cobalt atoms and dimers on single vacancies in a graphene sheet are investigated by means of relativistic density functional calculations. It is found that local magnetic moments are formed…

Single crystal neutron diffraction, inelastic neutron scattering, bulk magnetization measurements, and first-principles calculations are used to investigate the magnetic properties of the honeycomb lattice $\rm Tb_2Ir_3Ga_9$. While the…

Experimental challenges in identifying various types of magnetic ordering in graphene quantum dots (QDs) pose a major hurdle in the application of these nanostructures for spintronic devices. }Based upon phase diagrams obtained by employing…

We present a theoretical study using density functional calculations of the structural, electronic and magnetic properties of 3d transition metal, noble metal and Zn atoms interacting with carbon monovacancies in graphene. We pay special…

Studying single-atom magnetic anisotropy on surfaces enables the exploration of the smallest magnetic storage bit that can be built. In this work, magnetic anisotropy of a single rare-earth atom on a surface is studied computationally for…

The nature of the magnetism brought about by Fe adatoms on the surface of the topological insulator Bi2Se3 was examined in terms of density functional calculations. The Fe adatoms exhibit strong easy-axis magnetic anisotropy in the dilute…

We present the electronic band structures of states with the same symmetry as the three-sublattice planar antiferromagnetic order of the triangular lattice. Such states can also be defined on the honeycomb lattice provided the spin density…

An attractive feature of magnetic adatoms and molecules for nanoscale applications is their superparamagnetism, the preferred alignment of their spin along an easy axis preventing undesired spin reversal. The underlying magnetic anisotropy…

Doping of the graphene lattice with transition metal atoms resulting in high magnetic anisotropy energy (MAE) is an important goal of materials research owing to its potential application in spintronics. In this article, by using…

Inspired by recent advancements in the field of single-atom magnets, particularly those involving rare-earth (RE) elements, we present a theoretical exploration employing DFT+$U$ calculations to investigate the magnetic properties of…

Few-layer graphene systems come in various stacking orders. Considering tight-binding models for electrons on stacked honeycomb layers, this gives rise to a variety of low-energy band structures near the charge neutrality point. Depending…

First-principles density functional theory (DFT) study of embedding V and Nb atom in monovacant and divacant graphene is reported. Complete/almost complete spin polarization is verified for V/Nb embedding in MV/DV graphene. The origin of…

Sodium, magnesium and aluminum adatoms, which, respectively, possess one, two and three valence electrons in terms of 3s, $3s^2$, and ($3s^2$, 3p) orbitals, are very suitable for helping us understand the adsorption-induced diverse…

In 5d transition metal oxides, novel properties arise from the interplay of electron correlations and spin--orbit interactions. Na4IrO4, where 5d transition-metal Ir atom occupies the center of the square-planar coordination environment, is…

Several experiments have recently found room-temperature ferromagnetism in graphite-like carbon based materials. This paper offers a model explaining such ferromagnetism by using an asymmetric nano-graphene. Our first typical model is…