Materials Literature
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The ferromagnetic ground states of the half-Heusler compounds AuMnX (X = In, Sn, Sb) have been calculated in the framework of the local spin-density approximation (LSDA) to density functional theory (DFT). AuMnSn is computed to be a half-metallic ferromagnet, whereas AuMnIn and AuMnSb are not half-metallic, due to the…
In most silicon-oxygen compounds, the silicon atom is 4-fold coordinated. Exceptionally, silicon is found in 6-fold coordination, as in the mineral thaumasite, which also may be formed in the degradation, and sometimes subsequent weakening, of certain concretes. The connection between coordination number and chemical…
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Previous photoelectron spectroscopy studies of CrO2 have found either no density of states or a very low density of states at the Fermi level, suggesting that CrO2 is a semiconductor or a semi-metal. This is in contradiction to calculations that predict that CrO2 should be a half-metallic ferromagnet. Recently, techni…
From the electron energy loss spectroscopy (EELS) study of plasmon excitation of Bi nanorods, we find that as the diameter and length of Bi nanorods decrease below ∼10 and ∼35 nm, respectively, the quantum confinement effect drastically increases. Thus, such Bi nanorods would be extremely useful for thermoelectric dev…
The synthesis and self-assembly behaviour of porphyrin dodecamers 1H(2) and Zn-1, which consist of twelve porphyrins that are covalently attached to a central aromatic core, is described. According to STM, 1D and 2D NMR studies, and molecular modelling calculations, the porphyrin dodecamers have a yo-yo-shaped structu…
ADVERTISEMENT RETURN TO ISSUEPREVNoteMetal-Free Ring-Opening Polymerization of Glycidyl Phenyl Ether by Tetrabutylammonium FluorideHisatoyo Morinaga, Bungo Ochiai, and Takeshi EndoView Author Information Molecular Engineering Institute, Kinki University, 11-6 Kayanomori, Iizuka, Fukuoka 820-8555, Japan, and Department…
Since its introduction by de Groot and colleagues in the early 1980s [1], the concept of half metallic ferromagnetism has attracted great interest. Idealized, half-metals have only one spin channel for conduction: the spin-polarized band structure exhibits metallic behavior for one spin channel, while the other spin b…
Abstract The purpose of this research is to study the synthesis and characterization of stable aqueous dispersions of externally chain extended polyurethane/urea compositions terminated by hydrolyzable or hydrolyzed trialkoxysilane groups incorporated through secondary amino groups. These dispersions with excellent st…
The metallation of the core-modified phthalocyanine analogue dicarbahemiporphyrazine with manganese, iron, and cobalt results in the formation of low-coordinate metal(II) complexes. All three compounds are produced by the reaction of metal carbonyls with the free base macrocycle. As in many other carbaporphyrinoids, t…
A half-metal has been defined as a material with propagating electron states at the Fermi energy only for one of the two possible spin projections, and as such has been promoted as an interesting research direction for spin electronics. This review details recent advances on manganite thin film research within the fie…
The local structure of the low-temperature ordered phase of the negative thermal expansion (NTE) material ZrW(2)O(8) has been investigated by reverse Monte Carlo (RMC) modelling of neutron total scattering data. The local structure is described using the instantaneous distributions of bond lengths and angles obtained…
Low-temperature (23 ≤ T ≤ 150 K) dielectric properties of Pr1−xCaxMnO3 (PCMO) (0.1 ≤ x ≤ 0.9) were investigated systematically.A thermally activated relaxation was found in both charge-ordered and no-charge-ordered samples with localized charge carriers, but it was not detected in samples with free carriers. The diele…
The transition metal (TM) chalcogenides of the form TMX(2) (X = S or Se) have been studied for decades due to their interesting electronic and magnetic properties such as metamagnetism and metal-insulator transitions. In particular, the Co(1-x)Fe(x)S(2) alloys were the subject of investigation in the 1970s due to gene…
The structure of 0.7SiO(2)-0.3Na(2)O glass was investigated by means of neutron and high-energy x-ray diffraction. The maximum momentum transfer was 35 and 23.5 Å(-1) for the two experiments. The two datasets were modelled simultaneously by the reverse Monte Carlo simulation technique. By using reasonable constraints…
What happens to ferromagnetism at the surfaces and interfaces of manganites? With the competition between charge, spin, and orbital degrees of freedom, it is not surprising that the surface behaviour may be profoundly different to that of the bulk. Using a powerful combination of two surface probes, tunnelling and pol…
We present an investigation on the electronic structure and ferromagnetism for the hypothetical zinc blende (ZB) CaSi and CaGe by using first-principles full-potential linearized augmented plane-wave (FP-LAPW) calculations. It is found that ZB CaSi and CaGe are half-metallic (HM) ferromagnets without any transition-me…
We perform classical molecular dynamics simulations of the chemical sputtering of deuterated amorphous carbon surfaces by D and D 2 , at energies of 7.5–30 eV D −1 . Particular attention is paid to the preparation of the target surfaces for varying impact projectile fluence, energy and species, to the vibrational stat…
At the basic level of collinear spin density functional theory, half metallic ferromagnets represent a fundamentally different state of matter: for low-energy physics the spin degree of freedom is absent, although the system is spin polarized. This makes such systems highly attractive for spintronics applications, but…
The effect of partial substitution, up to x = 0.4, of La by trivalent Eu on the phase stability, thermal expansion, and transport properties of La2Mo2O9 are investigated using temperature-controlled X-ray powder diffraction, differential thermal analysis, and complex impedance spectroscopy. At low europium content (x…