相关论文: Vacancy-induced magnetism in SnO$_{2}$: A density …

We have investigated the role of transition metal impurities and oxygen vacancies in the formation of ferromagnetism in Co-doped TiO2 using LSDA+U approach which takes into account strong on-cite Coulomb correlations for electronic…

We report magnetism in carbon doped ZnO. Our first-principles calculations based on density functional theory predicted that carbon substitution for oxygen in ZnO results in a magnetic moment of 1.78 $\mu_B$ per carbon. The theoretical…

Room-temperature ferromagnetism is observed in (110) oriented ZnO films containing 5 at % of Sc, Ti, V, Fe, Co or Ni, but not Cr, Mn or Cu ions. There are large moments, 1.9 and 0.5 muB/atom for Co- and Ti-substituted oxides, respectively.…

We report magnetization, susceptibility, electrical transport, and electron spin resonance (ESR) studies of single crystals of beta-AgNpO2(SeO3). Here the valence of the Np sites is expected to be Np(V). We observe a magnetic transition…

In recent years there has been an intense search for room temperature ferromagnetism in doped dilute semiconductors, which have many potentially applications in spintronics and optoelectronics. We report here the unexpected observation of…

Using the first-principles density-functional theory plan-wave pseudopotential method, we investigate the structure and magnetism in 25% Mn substitutive and interstitial doped monoclinic, tetragonal and cubic ZrO2 systematically. Our…

Magnetic properties of a quasi one-dimensional magnet CuV_2O_6 have been studied by means of susceptibility measurement, NMR and powder neutron diffraction. Cu^{2+} spins (S=1/2) order antiferromagnetically below 22.6 K, and the saturation…

It is shown that substitution of C or N for O recently proposed as a way to create ferromagnetism in otherwise nonmagnetic oxide insulators is curtailed by formation of impurity pairs, and the resultant C2 spin=1 dimers as well as the…

In this study, the structural and magnetic properties of group-IV-doped monolayer GaN were systematically investigated by first-principles calculations. Among all the group-IV dopants, only Ge and Sn atoms prefer to substitute the Ga atom…

The specific heat, magnetic susceptibility and ESR signals of a Na-deficient vanadate Na_xV_2O_5 (x=1.00 - 0.90) were studied in the temperature range 0.07 - 10 K, well below the transition point to a spin-gap state. The contribution of…

By applying density functional theory, we find strong evidence for an itinerant nature of magnetism in two families of iron pnictides. Furthermore, by employing dynamical mean field theory with continuous time quantum Monte Carlo as an…

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…

Altermagnetism is a topic that has lately been gaining attention and the RuO$_2$ compound is among one of the most studied altermagnetic candidates. However, the survey of available literature on RuO$_2$ properties suggests that there is no…

The structural and magnetic effects of non-magnetic vanadium (V) doping in helimagnetic SrFeO$_{3-\delta}$ (SFO) are investigated, focusing on up to 3% substitution at the Fe site. Structural analysis from X-ray diffraction (XRD) and Raman…

Density functional theory calculations indicate that the incorporation of V into Ti lattice positions of rutile TiO2 leads to magnetic V4+ species, but the extension and sign of the coupling between dopant moments confirm that ferromagnetic…

In this work, we investigate the microscopic origin of magnetism in $\mathrm{SrCoO_3}$ by incorporating electronic correlations within the dynamical mean-field theory (DMFT) framework. We note a remarkable agreement of the calculated…

Effects of alloying on the electronic and magnetic properties of Mn$_{x}$Co$_{y}$ ($x+y$=$n$=2-5; $x$=0-$n$) and Mn$_2$Co$_{11}$ nanoalloy clusters are investigated using the density functional theory (DFT). Unlike the bulk alloy, the…

SmS, a prototypical intermediate valence compound, has been studied by performing high-pressure nuclear magnetic resonance measurements on a $^{33}$S-enriched sample. The observation of an additional signal below 15-20 K above a…

In view of the recent experimental reports of unexpected ferromagnetism in HfO$_{2}$ thin films, we carried out first principles investigations looking for magnetic order possibly brought about by the presence of small concentrations of…

A novel magnetic class blending ferromagnetism and antiferromagnetism, termed altermagnetism, has gained significant attention for its staggered order in coordinate and momentum spaces, time-reversal symmetry-breaking phenomena, and…