Related papers: Spin-half paramagnetism in graphene induced by poi…
We study electronic properties of graphene with finite concentration of vacancies or other resonant scatterers by a straightforward lattice Quantum Monte Carlo calculations. Taking into account realistic long-range Coulomb interaction we…
Strains strongly affect the properties of low-dimensional materials, such as graphene. By combining in situ, in operando, reflection high energy electron diffraction experiments with first-principles calculations, we show that large…
We propose an effective theory for the critical phase of a quantum ferrimagnetic chain with alternating spins 1 and 1/2 in an external magnetic field. With the help of the matrix product variational approach, the system is mapped to a…
We report a theoretical low-field magnetotransport study unveiling the effect of pseudospin in realistic models of weakly disordered graphene-based materials. Using an efficient Kubo computational method, and simulating the effect of…
The detailed analysis of the problem of possible magnetic behavior of the carbon-based structures was fulfilled to elucidate and resolve (at least partially) some unclear issues. It was the purpose of the present paper to look somewhat more…
The interaction between two different materials can present novel phenomena that are quite different from the physical properties observed when each material stands alone. Strong electronic correlations, such as magnetism and…
We theoretically investigate spin-resolved currents flowing in large-area graphene, with and without defects, doped with single atoms of noble metals (Cu, Ag and Au) and 3d-transition metals (Mn,Fe,Co and Ni). We show that the presence of a…
We present a detailed analysis of the role of native point defects in the antiferromagnetic (AFM) phases of bulk chromium nitride (CrN). We perform first-principles calculations using local spin-density approximation, including local…
The ruthenium content of half-metallic Mn$_2$Ru$_x$Ga thin films, with a biaxially-strained inverse Heusler structure, controls the ferrimagnetism that determines their magnetic and electronic properties. An extensive study of…
The melting of fluorographene is very unusual and depends strongly on the degree of fluorination. For temperatures below 1000 K, fully fluorinated graphene (FFG) is thermo-mechanically more stable than graphene but at T$_m\approx$2800 K FFG…
Magnetism of $UGe_2$ is due to the magnetic ordered moments of $5f$ uranium electrons. The strong spin-orbit coupling splits them into two groups. The magnetization is investigated in terms of two vector fields ${\bf M}_{1i}$ and ${\bf…
We compute the magnetization of graphene in a magnetic field, taking into account for generality the possibility of a mass gap. We concentrate on the physical regime where quantum oscillations are not observed due to the effect of the…
Hydrogen adatoms induced magnetic moment on graphene has been observed in atomic scale in a recent experiment [Gonzalez-Herrero et al., Science 352, 437 (2016)]. Here, we demonstrate that all the experimental phenomena can be simply and…
Decorating two-dimensional materials with transition-metal adatoms is an effective way to bring about new physical properties that are intriguing for applications in electronics and spintronics devices. Here, we systematically studied the…
Deviations from the perfect atomic arrangements in crystals play an important role in affecting their properties. Similarly, diffusion of such deviations is behind many microstructural changes in solids. However, observation of point defect…
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…
Graphene is a unique two-dimensional material with rich new physics and great promise for applications in electronic devices. Physical phenomena such as the half-integer quantum Hall effect and high carrier mobility are critically dependent…
There have recently been various reports of weak ferromagnetism in graphite (1,2) and synthetic carbon materials (3) such as rhombohedral C60 (4), as well as a theoretical prediction of a ferromagnetic instability in graphene sheets (5).…
We used a quantum Monte Carlo method to study the magnetic impurity adatoms on graphene. We found that by tuning the chemical potential we could switch the values of the impurity's local magnet moment between relatively large and small…
Based on ab-initio calculations we identify possible scenarios for the Kondo effect due to Co ad-atoms on graphene. General symmetry arguments show that for magnetic atoms in high-symmetry positions, the Kondo effect in graphene is…