相关论文: Possible Magnetic Behavior in Oxygen-deficient {\b…
The discovery of new magnetic ground states in geometrically frustrated lattices remains a central challenge in materials science. Here, we report the synthesis, structural characterization, and frustrated magnetic properties of…
Adsorption of carbon, nitrogen, and oxygen on the (111) surface of delta-Plutonium has been studied within the framework of density functional theory using the full-potential linear augmented plane wave plus local basis (FP-LAPW+lo) method.…
The description of the molecular solid phase of O$_2$, especially its ground-state antiferromagnetic insulating phase, is known to be quite unsatisfactory within the conventional local and semilocal density functional approximations used in…
Oxidation catalysis on reducible oxide-supported small metal clusters often involves lattice oxygen. In the present work, we trace the path of lattice oxygen from Fe3O4(001) onto small Pt clusters during the CO oxidation, aiming at…
The strain-induced magnetism is observed in single-layer MoS2 with atomic single vacancies from density functional calculations. Calculated magnetic moment is no less than 2muB per vacancy defect. The straininduced band gap closure is…
We performed first-principles calculations to investigate the possible magnetism induced by the different concentrations of non-magnetic impurities and vacancies in BN sheet. The atoms of Be, B, C, N, O, Al and Si are used to replace either…
After a brief historical introduction, we dwell on two recent experiments in the low-temperature, monoclinic phase of V$_2$O$_3$: K-edge resonant x-ray scattering and non-reciprocal linear dichroism, whose interpretations are in conflict,…
Magnetic susceptibility and the magnetization process have been measured in \green polycrystal. In this compound, the magnetic manganese ion exists as Mn$^{5+}$ in a tetrahedral environment, and thus the magnetic interaction can be…
We studied structural, electronic and magnetic properties of a cubic perovskite BaFeO$_{3-\delta}$ ($0 \le \delta \le 0.5$) within the density functional theory using a generalized gradient approximation and a GGA+U method. According to our…
The optoelectronic properties induced by oxygen vacancy defects in MgO(111) monolayers have been studied using hybrid level of DFT method. HSE calculations shows significant reduction in electronic band gap of MgO monolayer as a result of…
We investigated the magnetism under a magnetic field in the quasi-two-dimensional organic Mott insulator $\kappa$-(BEDT-TTF)$_{2}$Cu[N(CN)$_{2}$]Cl through magnetization and $^{13}$C-NMR measurements. We found that in the nominally…
The effect of oxygen content on the magnetic and transport properties of the ferromagnetic Eu0.9Ca0.1BaCo2O5.5+{\delta} has been carried out. Unlike the increase in TC with calcium content, paradoxally the TC value decreases with the…
The two-layer square lattice quantum antiferromagnet with spins 1/2 shows a zero-field magnetic order-disorder transition at a critical ratio of the inter-plane to intra-plane couplings. Adding a uniform magnetic field tunes the system to…
Here we propose to induce magnetism in semiconductor utilizing the unique properties of the interstitial defect to act as the magnetic impurity within the alpha-PbO crystal structure. The Pbi interstitial generates the p-localized state…
To sum up, we show in the present paper that magnetic response in Nb$_2$O$_2$F$_3$ at the high-temperatures ($T>$90 K) is related to the orbital selective regime, when part of the electrons form molecular orbitals while other electrons have…
Carbon atom vacancies in graphene give rise to a local magnetic moment of $\sigma+\pi$ origin, whose magnitude is yet uncertain and debated. Partial quenching of $\pi$ magnetism has been ubiquitously reported in periodic $first-principles$…
We present the studies of magnetic properties of 2 MeV 4He+-irradiated GaN grown by metal-organic chemical-vapor deposition. Particle irradiation allowed controllable introduction of Ga-vacancy in the samples. The magnetic moments with…
Varying the angle Theta between applied field and the conducting planes of a layered superconductor in a small interval close to the plane-parallel field direction, a large number of superconducting states with unusual properties may be…
We find, through first-principles calculations, that hole doping induces a ferromagnetic phase transition in monolayer GaSe. Upon increasing hole density, the average spin magnetic moment per carrier increases and reaches a plateau near 1.0…
We explore the kinetic magnetism of the infinite-$U$ repulsive Hubbard models at low hole densities on various lattices with nearest-neighbor hopping integrals modulated by a staggered magnetic flux $\pm\phi$. Tuning $\phi$ from 0 to $\pi$…