Related papers: Defect-induced ferromagnetism in fullerenes
{\it Ab initio} calculations within density functional theory with generalized gradient approximation have been performed to study the effects of oxygen vacancies on the electronic structure and magnetism in undoped V$_2$O$_{5-x}$ ($0 < x <…
We provide evidence that high-pressure high-temperature (2.5 GPa and 1040 K) treatment of mixtures of iron with fullerene powders leads to the complete transformation of iron into iron carbide Fe$_3$C. The comparison of the magnetic…
Theoretical calculations, based on hybrid exchange density functional theory, are used to show that in graphene a periodic array of defects generates a ferromagnetic ground state at room temperature for unexpectedly large defect…
It is demonstrated that the fullerene shell affects dramatically the radiative and Auger vacancy decay of an endohedral atom A@C60. The collectivized electrons of the C60 shell add new possibilities for radiative and non-radiative decays…
Our previous studies [J. Phys. B 53, 125101 (2020); Euro. Phys. J. D 74, 191 (2020)] have predicted that the atom-fullerene hybrid photoionization properties for X = Cl, Br and I endohedrally confined in C60 are different before and after…
Atomic vacancies have a strong impact in the mechanical, electronic and magnetic properties of graphene-like materials. By artificially generating isolated vacancies on a graphite surface and measuring their local density of states on the…
We perform an electronic structure study for cerium oxide homogeneously-doped with cobalt impurities, focusing on the role played by oxygen vacancies and structural relaxation. By means of full-potential ab-initio methods, we explore the…
The emergence of bulk carbon ferromagnetism is long-expected over years. At nanoscale, carbon ferromagnetism was detected by analyzing the magnetic edge states via scanning tunneling microscopy(STM), and its origin can be explained by local…
In this article we shortly review previous and recently published experimental results that provide evidence for intrinsic, magnetic-impurity-free ferromagnetism and for high-temperature superconductivity in carbon-based materials. The…
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…
Multiferroics in which giant ferroelectric polarization and magnetism coexist are of tremendous potential for engineering disruptive applications in information storage and energy conversion. Yet the functional properties of multiferroics…
Multiferroics, where two or more ferroic order parameters coexist, is one of the hottest fields in condensed matter physics and materials science[1-9]. However, the coexistence of magnetism and conventional ferroelectricity is physically…
We report on a density functional theory study demonstrating the coexistence of weak ferromagnetism and antiferroelectricity in boron-deficient MgB6. A boron vacancy produces an almost one dimensional extended molecular orbital, which is…
We demonstrate the role played by the fullerene shell in the photoionization and vacancy decay of endohedral atoms A@C60. It is shown, partly in the frame of a rather simple model that describes the fullerene shell, partly using only the…
We report intrinsic ferromagnetism in monolayer electrides or electrenes, in which excess electrons act as anions. Our first-principles calculations demonstrate that magnetism in such electron-rich two-dimensional (2D) materials originates…
Understanding the magnetic properties of graphenic nanostructures is instrumental in future spintronics applications. These magnetic properties are known to depend crucially on the presence of defects. Here we review our recent theoretical…
Recently discovered ferromagnetism of the layered van der Waals material VI$_3$ attracts much research attention. Despite substantial progress,in the following important aspects no consensus has been reached: (i) a possible deviation of the…
Using magnetization measurements, we show that point defects in graphene - fluorine adatoms and irradiation defects (vacancies) - carry magnetic moments with spin 1/2. Both types of defects lead to notable paramagnetism but no magnetic…
Magnetism in carbon nanostructures is of high scientific interest, which could lead to novel magnetic materials. The magnetic properties of symmetrical and asymmetrical sized small fullerene dimers have been investigated using spin…
We demonstrate direct evidence for ferromagnetic order at defect structures in highly oriented pyrolytic graphite with magnetic force microscopy at room temperature. Magnetic impurities have been excluded as the origin of the magnetic…