Related papers: Defect-induced ferromagnetism in fullerenes
Nowadays, nonhomogeneous and periodic ferromagnetic materials are the subject of a growing interest. Actually such periodic configurations often combine the attributes of the constituent materials, while sometimes, their properties can be…
We present a simple, general energy functional for ferromagnetic materials based upon a local spin density extension to the Stoner theory of itinerant ferromagnetism. The functional reproduces well available ab initio results and…
First principles calculations based on the density functional theory within the local spin density approximation plus U(LSDA+U)scheme, show rhombohedral Bi$_2$FeTiO$_6$ is a potential multiferroic in which the magnetism and ferroelectricity…
Void defect is a possible origin of ferromagnetic like feature of pure carbon material. Applying density functional theory to void defect induced graphene nano ribbon (GNR), a detailed relationship between multiple spin state and structure…
Variations in the band structures of C60-polymers are studied, when conjugation conditions and the electron number are changed. We use a semiempirical model with the Su-Schrieffer-Heeger type electron-phonon interactions. In the neutral…
Ferromagnetism can occur in wide-band gap semiconductors as well as in carbon-based materials when specific defects are introduced. It is thus desirable to establish a direct relation between the defects and the resulting ferromagnetism.…
Ferromagnetism with high Curie temperature $T_c$, well above room temperature, and very small saturation moment has been reported in various carbon and boron systems. It is argued that the magnetization must be very inhomogeneous with only…
The low-temperature structure of A1C60 (A=K, Rb) is an ordered array of polymerized C60 chains, with magnetic properties that suggest a non-metallic ground state. We study the paramagnetic state of this phase using first-principles…
The low-temperature structure of A1C60 (A=K, Rb) is an ordered array of polymerized C60 chains, with magnetic properties that suggest a non-metallic ground state. We study the paramagnetic state of this phase using first-principles…
Motivated by the recent experimental report of a possible light-induced superconductivity in A3C60 at high temperature [Mitrano et al., Nature 530, 451 (2016)], we investigate theoretical mechanisms for enhanced superconductivity in A3C60…
Vacancy-induced magnetism in graphene bilayers is investigated using spin-polarized density functional theory calculations. One of two graphene layers has a monovacancy. Two atomic configurations for bilayers are considered with respect to…
Experiments on a nearly spin degenerate two-dimensional electron system reveals unusual hysteretic and relaxational transport in the fractional quantum Hall effect regime. The transition between the spin-polarized (with fill fraction $\nu =…
By studying the dielectric properties of the geometrically frustrated spinel CdV2O4, we observe ferroelectricity developing at the transition into the collinear antiferromagnetic ground state. In this multiferroic spinel, ferroelectricity…
The presence of defects can introduce important changes in the electronic structure of graphene, leading to phenomena such as C magnetism. In addition, vacancies are reactive and permit the incorporation of dopants. This paper discusses the…
Organic semiconductor/ferromagnetic bilayer thin films can exhibit novel properties due to the formation of the spinterface at the interface. Buckminsterfullerene (C60) has been shown to exhibit ferromagnetism at the interface when it is…
The existence of high-temperature ferromagnetism in thin films and nanoparticles of oxides containing small quantities of magnetic dopants remains controversial. Some regard these materials as dilute magnetic semiconductors, while others…
A double-exchange mechanism for the emergence of ferromagnetism in cubic uranium compounds is proposed on the basis of a $j$-$j$ coupling scheme. The idea is {\it orbital-dependent duality} of $5f$ electrons concerning itinerant…
Tight-binding Hamiltonians with single and multiple orbitals exhibit an intriguing array of magnetic phase transitions. In most cases the spin ordered phases are insulating, while the disordered phases may be either metallic or insulating.…
The fcc-based structure of Yb2.75C60 is unique among metal-doped fullerene compounds, exhibiting long-range-ordered vacancies, significantly off-centered divalent Yb cations, and distorted, crystallographically inequivalent, orientationally…
We report the high-resolution far infrared vibrational properties of C60 and endohedral Kr@C60 fullerene as a function of temperature. Anomalous softening of the F1u(1) mode (526 cm-1) is observed throughout the temperature range of…