Weak Ferromagnetism in a One-Orbital Double-Exchange Model with Ising Spins for Cerium Oxides

Cerium oxides (ceria) are materials that exhibit weak, room-temperature ferromagnetism without d-electrons. The latter are usually responsible for magnetism in a variety of other oxide compounds, but the underlying mechanism for such a magnetic response in ceria without the d-electrons (d0-magnetism) is still under debate. A possible explanation is Zener double-exchange, where itinerant electrons polarize the localized spins via Hund-coupling as they hop from site to site. Here, we report magnetization and spin-spin correlation results using various values of the Hund-coupling in a one-orbital double-exchange model with Ising spins. In the real material with formula CeO2−x, the oxygen-deficient sites are denoted by x. These sites are related to the density of tetravalent cerium spins (the Ising spin background in our model), which we denoted as and set at N=0.50 in our simulations. Our results at this value of localized spin concentration show ferromagnetic tendencies at low carrier densities (n=0.25). However, ferromagnetism is lost at intermediate carrier concentrations (n=0.50) due to charge localization at high temperatures, as evident from density of states calculations and Monte Carlo snapshots. To our knowledge, our study based on a realistic Zener-type double exchange mechanism is a first in the study of magnetism in cerium oxides. Our results are also consistent with previous studies using similar Hamiltonians in the context of diluted magnetic semiconductors, where Heisenberg spins were used.

Stable open-shell aromatic nitric acid radicals: accessing highly efficient photothermal conversion with restricted radiative decay

Most of the open-shell radicals are usually thermodynamically or kinetically unstable in air due to their incompletely satisfied valency. As phenol radical without steric hindrance group protection, aromatic nitric acid radical exhibits high electrochemical and thermal stability due to its rich resonance structures including closed-shell nitro-like and open-shell nitroxide structure with unpaired electrons delocalized in conjugated backbones. Herein, a series of star-shaped aromatic nitric acid radical materials were prepared via facile demethylation and consequent oxidation of their phenolic hydroxyl precursors in air. Interestingly, they exhibit extremely high spin concentration and highly enhanced nonradiative decay, which make them exhibit great potential for photothermal conversion. Among them, TPA-TPA-O6 exhibits high photothermal conversion efficiency and negligible photobleaching effect in seawater desalination. Under irradiation of one sunlight, the water evaporation efficiency of TPA-TPA-O6 is recorded as high as 89.41% and the water evaporation rate is 1.293 kg/m2 h, which represent as the top performance in pure organic small molecule photothermal materials.

EPR Spectroscopy as a Tool to Characterize the Maturity Degree of Humic Acids

The major indicator of soil fertility and productivity are humic acids (HAs) arising from decomposition of organic matter. The structure and properties of HAs depend, among others climate factors, on soil and anthropogenic factors, i.e., methods of soil management. The purpose of the research undertaken in this paper is to study humic acids resulting from the decomposition of crop residues of wheat (Triticum aestivum L.) and plant material of thuja (Thuja plicata D.Don.ex. Lamb) using electron paramagnetic resonance (EPR) spectroscopy. In the present paper, we report EPR studies carried out on two types of HAs extracted from forest soil and incubated samples of plant material (mixture of wheat straw and roots), both without soil and mixed with soil. EPR signals obtained from these samples were subjected to numerical analysis, which showed that the EPR spectra of each sample could be deconvoluted into Lorentzian and Gaussian components. It can be shown that the origin of HAs has a significant impact on the parameters of their EPR spectra. The parameters of EPR spectra of humic acids depend strongly on their origin. The HA samples isolated from forest soils are characterized by higher spin concentration and lower peak-to-peak width of EPR spectra in comparison to those of HAs incubated from plant material.

Фазовые переходы в трехмерной слабо разбавленной модели Поттса с q=5

The study of phase transitions in a three-dimensional weakly diluted 5-state Potts model is carried out by computer modeling. Systems with linear sizes L × L × L = N, L = 10 ÷ 40 at a spin concentration p = 1.00, 0.90 are considered. The obtained numerical data indicate that the introduction of an insignificant disorder in the form of non-magnetic impurities (p = 0.90) in the three-dimensional 5 - state Potts model is not essential for a phase transition of the first order.

Hyperfine spectroscopy in a quantum-limited spectrometer

We report measurements of electron-spin-echo envelope modulation (ESEEM) performed at millikelvin temperatures in a custom-built high-sensitivity spectrometer based on superconducting micro-resonators. The high quality factor and small mode volume (down to 0.2 pL) of the resonator allow us to probe a small number of spins, down to 5×102. We measure two-pulse ESEEM on two systems: erbium ions coupled to 183W nuclei in a natural-abundance CaWO4 crystal and bismuth donors coupled to residual 29Si nuclei in a silicon substrate that was isotopically enriched in the 28Si isotope. We also measure three- and five-pulse ESEEM for the bismuth donors in silicon. Quantitative agreement is obtained for both the hyperfine coupling strength of proximal nuclei and the nuclear-spin concentration.

The impact of the halo spin-concentration relation on disc scaling laws

Galaxy scaling laws, such as the Tully–Fisher, mass-size, and Fall relations, can provide extremely useful clues on our understanding of galaxy formation in a cosmological context. Some of these relations are extremely tight and well described by one single parameter (mass), despite the theoretical existence of secondary parameters such as spin and concentration, which are believed to impact these relations. In fact, the residuals of these scaling laws appear to be almost uncorrelated with each other, posing significant constraints on models where secondary parameters play an important role. Here, we show that a possible solution is that such secondary parameters are correlated amongst themselves, in a way that removes correlations in observable space. In particular, we focus on how the existence of an anti-correlation between the dark matter halo spin and its concentration, which is still debated in simulations, can weaken the correlation of the residuals of the Tully–Fisher and mass-size relations. Interestingly, in using simple analytic galaxy formation models, we find that this happens only for a relatively small portion of the parameter space that we explored, which suggests that this idea could be used to derive constraints on galaxy formation models that have yet to be explored.

Hyperfine spectroscopy in a quantum-limited spectrometer

We report measurements of electron spin echo envelope modulation (ESEEM) performed at millikelvin temperatures in a custom-built high-sensitivity spectrometer based on superconducting micro-resonators. The high quality factor and small mode volume (down to 0.2 pL) of the resonator allow to probe a small number of spins, down to 5 ⋅ 102. We measure 2-pulse ESEEM on two systems: erbium ions coupled to 183W nuclei in a natural-abundance CaWO4 crystal, and bismuth donors coupled to residual 29Si nuclei in a silicon substrate that was isotopically enriched in the 28Si isotope. We also measure 3- and 5-pulse ESEEM for the bismuth donors in silicon. Quantitative agreement is obtained for both the hyperfine coupling strength of proximal nuclei, and the nuclear spin concentration.

DISTRIBUTION OF THERMODYNAMIC PARAMETERS IN THE DISCRETE DISORDERED POTT’S MODEL. RESULTS OF COMPUTER SIMULATION

Using the Monte Carlo method, we study the distribution of thermodynamic parameters in a strongly disordered Potts model with the number of spin states q = 4. For this model, relative dispersions of magnetization Rm and susceptibility R are calculated. It is shown that in this model, the relative dispersions of Rm and R lead to nonzero values, which in-dicates poor self-averaging for magnetization and susceptibility in a strongly diluted mod-el. Averaging the thermodynamic parameters in a strongly diluted regime over an ensem-ble of disordered spin systems with different disorder implementations requires a signifi-cant increase in the number of disordered impurity configurations. Computer simulation was performed for spin systems with periodic boundary conditions at a spin concentration of p = 0.65. Systems with linear dimensions L  L  L= N, L = 60 were investigated.

Characterizing the structure of halo merger trees using a single parameter: the tree entropy

ABSTRACT Linking the properties of galaxies to the assembly history of their dark matter haloes is a central aim of galaxy evolution theory. This paper introduces a dimensionless parameter s ∈ [0, 1], the ‘tree entropy’, to parametrize the geometry of a halo’s entire mass assembly hierarchy, building on a generalization of Shannon’s information entropy. By construction, the minimum entropy (s = 0) corresponds to smoothly assembled haloes without any mergers. In contrast, the highest entropy (s = 1) represents haloes grown purely by equal-mass binary mergers. Using simulated merger trees extracted from the cosmological N-body simulation SURFS, we compute the natural distribution of s, a skewed bell curve peaking near s = 0.4. This distribution exhibits weak dependences on halo mass M and redshift z, which can be reduced to a single dependence on the relative peak height δc/σ(M, z) in the matter perturbation field. By exploring the correlations between s and global galaxy properties generated by the SHARK semi-analytic model, we find that s contains a significant amount of information on the morphology of galaxies – in fact more information than the spin, concentration, and assembly time of the halo. Therefore, the tree entropy provides an information-rich link between galaxies and their dark matter haloes.

Фазовые переходы в низкоразмерных неупорядоченных моделях Поттса

The Monte Carlo method is used to study phase transitions in disordered two-dimensional Potts models in which disorder is realized as nonmagnetic impurities. The temperature dependences of the thermodynamic parameters have been calculated for specific heat C , susceptibility χ, and fourth-order Binder cumulants in the dependence on spin concentration p . The calculations have been performed for the system with periodic boundary conditions. The systems with linear sizes L × L = N , L = 20–160 are considered. The incorporation of nonmagnetic impurities to a spin system is shown to possibly lead to a change of the first-order phase transition to a second-order phase transition. The problem of the universality classes of the critical behavior of low-dimensional diluted systems is discussed.