Related papers: Graphitic-BN Based Metal-free Molecular Magnets Fr…
Realizing magnetism in graphene/carbon nanostructures is a decade-long challenge. The magnetic edge state and half metallicity in zigzag graphene nanoribbons are particularly promising [Y.-W. Son, et al., Nature 444, 347 (2006)]. However,…
We propose an intrinsic nonlinear spin magnetoelectric effect in magnetic materials, offering the potential of all-electric control of spin degree of freedom in centrosymmetric magnets, which reside outside of the current paradigm based on…
The arguments supporting the existence of the intrinsic magnetism in carbon-based materials including pure graphene were analyzed critically together with the numerous experimental evidences denying the magnetism in these materials. The…
Atomically thin crystals hosting flat electronic bands have been recently identified as a rich playground for exploring and engineering strongly correlated phases. Yet, their variety remains limited, primarily to two-dimensional moir\'e…
Carbon is conventionally not associated with magnetism, and much of the discussion of its nanotechnology perspectives appears to be centered on its electron transport properties. Among the few existing examples of magnetic carbon…
Graphene has received a great deal of attention and this has more recently extended to boron nitride sheets (BNS) with a similar structure. Both have hexagonal lattices and it is only the alternation of atoms in boron nitride, which changes…
We use density functional theory based first-principles methods to study the magnetism in a 2D hexagonal BN sheet induced by the different concentrations of oxygen and silicon atoms substituting for nitrogen (O$_\mathrm{N}$) and boron…
We model boron and nitrogen doped/codoped monolayer graphene to study its stability, interaction energy, electronic and thermal properties using density functional theory. It is found that a doped graphene sheet with non-bonded B or N atoms…
In this work, the electronic and optical properties of a Nitrogen (N) or a Boron (B) doped BeO monolayer are investigated in the framework of density functional theory. It is known that the band gap of a BeO monolayer is large leading to…
Nanoribbons produced from cutting {\beta}_12-Borophene sheet is investigated by density functional theory. The electronic and magnetic properties of Borophene nanoribbons are studied and found that all considered ribbons are metal which is…
We studied the magnetic properties of ferromagnetic-semiconductor composites based on nickel and porous-GaN, motivated by the effort to couple magnetic and semiconductor functionality. Nickel-infiltrated and nickel-coated (laminated…
Evidence of flat-band magnetism and half-metallicity in compressed twisted bilayer graphene is provided with first-principles calculations. We show that dynamic band-structure engineering in twisted bilayer graphene is possible by…
Magnetism in graphene is an emerging field that has received much theoretical attention. In particular, there have been exciting predictions for induced magnetism through proximity to a ferromagnetic insulator as well as through localized…
We find, with the use of first-principles calculations, that a single-atom-thick boron-nitride (BN) sheet exhibits an unusual nonlinear electromechanical effect: it becomes macroscopically polarized when bent out-of-plane. The direction of…
The feature-rich electronic and magnetic properties of fluorine-doped graphene nanoribbons are investigated by the first-principles calculations. They arise from the cooperative or competitive relations among the significant chemical bonds,…
Density functional theory with local spin density approximation has been used to propose possible room temperature ferromagnetism in N-doped NaCl-type BaO. Pristine BaO is a wide bandgap semiconductor, however, N induces a large density of…
Spontaneous magnetization of a two-dimensional electron gas (2DEG) is discussed. It takes place for sufficiently high electron density (i.e. for a quantum fluid state) with $r_s<10$ which is quite beyond the condition of Wigner…
We present an extension of density matrix based linear scaling electronic structure theory to incorporate spin degrees of freedom. When the spin multiplicity of the system can be predetermined, the generalization of the existing linear…
The influence of carrier density on magnetism in a zigzag graphene nanoribbon is studied in a $\pi$-orbital Hubbard-model mean-field approximation. Departures from half-filling alter the magnetism, leading to states with charge density…
Using ab initio methods, we propose a simple and effective way to substitutionally dope graphene sheets with Boron. The method consists of selectively exposing each side of the graphene sheet to different elements. We first expose one side…