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

Diverse emergent correlated electron phenomena have been observed in twisted graphene layers due to electronic interactions with the moir\'e superlattice potential. Many electronic structure predictions have been reported exploring this new…

Moir\'e superlattice in twisted bilayer graphene has been proven to be a versatile platform for exploring exotic quantum phases. Extensive investigations have been invoked focusing on the zero-magnetic-field phase diagram at the magic twist…

Using ab initio calculations, we study the electronic and structural properties of vacancies and hydrogen adsorbates on trilayer graphene. Those defects are found to share similar low-energy electronic features, since they both remove a pz…

Twisted graphene bilayers (TGBs) have low-energy van Hove singularities (VHSs) that are strongly localized around AA-stacked regions of the moire pattern. Therefore, they exhibit novel many-body electronic states, such as Mott-like…

We present a theoretical study of the bandstructure and Landau levels in bilayer graphene at low energies in the presence of a transverse magnetic field and Rashba spin-orbit interaction in the regime of negligible trigonal distortion.…

Using density functional theory (DFT), we calculate the magnetic short-ranged exchange forces between a magnetic tip and an adatom adsorbed on the antiferromagnetic Mn monolayer on the W(110) surface [Mn/W(110)]. These exchange forces can…

We consider the superconducting and Mott-insulating states for the twisted bilayer graphene, modeled as two narrow-band system of electrons with appreciable intraatomic Coulomb interactions. The interaction induces kinetic exchange which…

ABC-stacked multilayer graphene (ABC-MLG) exhibits topological surface flat bands with a divergent density of states, leading to many-body instabilities at charge neutrality. Here, we explore electronic ordering within a mean-field approach…

Many of the exotic properties proposed to occur in graphene rely on the possibility of increasing the spin orbit coupling (SOC). By combining analytical and numerical tight binding calculations, in this work we study the SOC induced by…

Based on numerically accurate density functional theory (DFT) calculations, we systematically investigate the ground-state structure and the spin and orbital magnetism including the magnetic anisotropy energy (MAE) of 3d- and…

We present a theoretical study of indirect exchange interaction between magnetic adatoms in graphene. The coupling between the adatoms to a graphene sheet is described in the framework of tunneling Hamiltonian. We account for the…

Most experimental data on the single-molecule magnet Mn$_{12}$ acetate have been successfully explained by the assumption that the Mn$_{12}$ acetate has an effective ground-state spin of S=10. However, the effect of the low-lying excited…

We employ a kinetic-exchange tight-binding model to calculate the magnetic interaction and anisotropy energies of a pair of substitutional Mn atoms in GaAs as a function of their separation distance and direction. We find that the most…

We study the quantum many-body ground states of electrons on the half-filled honeycomb lattice with short- and long-ranged density-density interactions as a model for graphene. To this end, we employ the recently developed truncated-unity…

Adsorbate engineering offers a seemingly simple approach to tailor spin-orbit interactions in atomically thin materials and thus to unlock the much sought-after topological insulating phases in two dimensions. However, the observation of an…

We present a systematic study of the energy levels of twisted bilayer graphene (tBLG) quantum dots (QD) and rings (QR) under an external perpendicular magnetic field. The confinement structures are modeled by a circular dot-like- and…

Terbium gallium garnet (TGG), Tb$_3$Ga$_5$O$_{12}$, is well known for its applications in laser optics, but also exhibits complex low-temperature magnetism that is not yet fully understood. Its low-temperature magnetic order is determined…

The capacity to externally manipulate magnetic properties is highly desired from both fundamental and technological perspectives, particularly in the development of magnetoelectronics and spintronics devices. Here, using first-principles…

We report an investigation of the low-lying excited states of the YbF molecule--a candidate molecule for experimental measurements of the electron electric dipole moment--with 2-component based multi-reference configuration interaction…

We present a combined DFT and model Hamiltonian analysis of spin-orbit coupling in graphene induced by copper adatoms in the bridge and top positions, representing isolated atoms in the dilute limit. The orbital physics in both systems is…