相关论文: Nitrogen based magnetic semiconductors
Magnetic moments dilutely dispersed in a metallic host tend to be coupled through the conduction electrons of the metal. This indirect exchange coupling, known to occur for a variety of magnetic materials embedded in several different…
Graphene nanoribbons (GNRs) are promising two-dimensional materials with various technological applications, in particular for the armchair GNR families that have a semiconductor character. Recently, methods that allowed for the control of…
We investigate the magnetic interactions in Sr3NiPtO6, characterized to be a spin liquid using ab initio calculations. The results reveal a novel metal to insulator transition due to finite exchange interaction strength; the magnetic…
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…
Semiconducting oxides possess a variety of intriguing electronic, optical, and magnetic properties, and native defects play a crucial role in these systems. In this study, we study the influence of native defects on these properties of…
We investigate the structural conditions for metamagnetism in MnP and related materials using Density Functional Theory. A magnetic stability plot is constructed taking into account the two shortest Mn-Mn distances. We find that a…
We study the possibility of d0 ferromagnetism in the compound MgO doped with nitrogen (N). The Haldane-Anderson impurity model is formulated within the tight-binding approximation for determining the host band-structure and the…
An antiferromagnetic insulating state has been found in the zigzag phosphorene nanoribbons (ZPNRs) from a comprehensive density functional theory calculations. Comparing with other one-dimensional systems, the magnetism in ZPNRs display…
We calculate the orbital magnetization of 822 two-dimensional magnetic materials from the Computational 2D Materials Database (C2DB). For compounds containing 5$d$ elements we find orbital moments of the order of 0.3-0.5 $\mu_\mathrm{B}$,…
We study formation and screening of local magnetic moments in the two-band Hubbard model in the presence of Hund exchange interaction using dynamic mean field theory approach. The characteristic temperatures of the formation, beginning and…
We study the formation of magnetic states in localized impurities embedded into two-dimensional semiconductors. By considering various energy configurations, we illustrate the interplay of the gap and the bands in the system magnetization.…
Electron correlations tend to generate local magnetic moments that usually order if the lattices are not too frustrated. The hexagonal compound SrRu$_2$O$_6$ has a relatively high Neel temperature but small local moments, which seem to be…
The magnetic properties of the hole(x)-doped Mott-Hubbard, antiferromagnetic insulator, NdTiO3, have been investigated in Nd1-xTiO3. For the materials in 0.010(6) < x < 0.112(4), correlation between the structural and magnetic properties is…
The first-principles full-potential linearized augmented plane-wave method based on density functional theory is used to investigate electronic structure and magnetic properties of hypothetical binary compounds of I$^{A}$ subgroup elements…
In this article we give a general survey of the main properties of magnetic oxides - mostly the oxides of transition metals, but sometime also containing rare earths ions. This is a very rich class of materials, among which there are…
Grain boundaries (GBs) are structural imperfections that typically degrade the performance of materials. Here we show that dislocations and GBs in two-dimensional (2D) metal dichalcogenides MX2 (M = Mo, W; X = S, Se) can actually improve…
Electrons confined to two dimensions display an unexpected diversity of behaviors as they are cooled to absolute zero. Noninteracting electrons are predicted to eventually "localize" into an insulating ground state, and it has long been…
While key attention in transition-metal oxides is usually devoted to the $d$ states of the transition-metal ion, the O$(2p)$ states usually also carry important physics. We here examine these $p$ states in representatives of the novel…
We examine the conditions necessary for the presence of localized magnetic moments on adatoms with inner shell electrons in graphene. We show that the low density of states at the Dirac point, and the anomalous broadening of the adatom…
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…