相关论文: Low-Energy Magnetic States of Tb Adatom on Graphen…
The electronic transport properties of monolayer graphene have been studied before and after the deposition of a dilute coating of tungsten adatoms on the surface. For coverages up to 2.5\% of a monolayer, we find tungsten adatoms…
The chapter generalizes results on influence of uniaxial strain and adsorption on the electron states and charge transport or localization in graphene with different configurations of imperfections (point defects): resonant (neutral)…
In this chapter we review the quantitative and qualitative aspects of describing the properties of magnetic solids on the basis of electronic Hamiltonian. We show that a spin Hamiltonian approach becomes consistent with an electronic…
We present the magnetic properties of a strongly spin-orbit coupled quantum dimer magnet based on Co$^{2+}$. The metal-organic framework compound Co$_2$(BDC)$_2$(DPTTZ)$_2$$\cdot$DMF features Co$^{2+}$ dimers arranged nearly orthogonal to…
When electrons populate a flat band their kinetic energy becomes negligible, forcing them to organize in exotic many-body states to minimize their Coulomb energy. The zeroth Landau level of graphene under magnetic field is a particularly…
The Kitaev spin model offers an exact quantum spin liquid in the ground state, which has stimulated exploration of its material realization over the last decade. Thus far, most of the candidates are found in $4d$- and $5d$-electron…
Recent advances in large-scale synthesis of graphene and other 2D materials have underscored the importance of local defects such as dislocations and grain boundaries (GBs), and especially their tendency to alter the electronic properties…
Density functional calculations are used to investigate the electronic structure of two-dimensional 5d tantalum carbides with honeycomb-like lattice structures. We focus on changes in the low-energy bands near the Fermi level with…
We study magnetism of an adatom adsorbed on AA-stacked bilayer graphene (BLG) in both unbiased and biased cases, using the Anderson impurity model. We find different magnetic phase diagrams for the adatom, depending on the energy level of…
We have performed an ab initio investigation of the energetic stability, and the electronic properties of transition metals (TMs = Mn, Fe, Co, and Ru) adsorbed on graphene upon the presence of grain boundaries (GBs). Our results reveal an…
We have identified TbOF as a unique frustrated and mixed-anion lattice, hosting unconventional magnetism. By means of magnetization, specific heat and neutron diffraction measurements down to 90 mK, as well as DFT calculations, we present a…
We investigate the electronic structure and properties of atoms exposed to a magnetic quadrupole field. The spin-spatial as well as generalized time reversal symmetries are established and shown to lead to a two-fold degeneracy of the…
Theoretical and experimental investigation of the electronic and magnetic structure of transition metal atoms on an insulating interface with a metallic substrate at low temperatures is quite challenging. In this paper, we show a density…
The dramatic changes in electronic and magnetic properties are investigated using the first-principles calculations for (Cl, Br, I, At)-adsorbed graphene nanoribbons. The rich and unique features are clearly revealed in the adatom-dominated…
We study the zero-temperature many-body properties of twisted bilayer graphene with a twist angle equal to the so-called `first magic angle'. The system low-energy single-electron spectrum consists of four (eight, if spin label is…
The geometric and electronic properties of Bi-adsorbed monolayer graphene, enriched by the strong effect of substrate, are investigated by first-principles calculations. The six-layered substrate, corrugated buffer layer, and slightly…
We investigate the effect of an applied uniaxial strain on the ferromagnetic instability due to long- range Coulomb interaction between Dirac fermions in graphene. In case of undeformed graphene the ferromagnetic exchange instability occurs…
Removing a single-carbon vacancy introduces (quasi-)localized states for both and electrons in graphene. Interactions between the localized dangling bond and quasilocalized electrons of a single-carbon vacancy in graphene are predicted to…
Molecular spin qubits with long spin coherence time as well as non-invasive operation methods on such qubits are in high demand. It was shown that both molecular electronic and nuclear spin levels can be used as qubits. In solid state…
We carried out density functional theory calculations to model the electronic structure and the magnetic interactions in copper doped anatase and rutile titanium dioxide in order to shed light on the potential of these systems as magnetic…