Electron-phonon superconductivity in the filled skutterudites LaRu4P12, LaRu4As12, and LaPt4Ge12

This is the final version of the article. Available from American Physical Society via the DOI in this record.We have reported on the structural, elastic, electronic, lattice dynamical and electron-phonon interaction properties of LaT4X12 (T=Ru, Pt and X=P, As, Ge) by using the generalized gradient approximation of the density functional theory and the plane-wave pseudopotential method. These lanthanum-filled skutterudites are found to be characterized with a flat band, resulting in a sharp peak in the electronic density of states, near the Fermi level. The lattice dynamical properties of these materials change considerably when the P atom is replaced by larger As or Ge atoms. The Migdal-Eliashberg approach is used to determine the Eliashberg spectral function for all the considered compounds. Using the calculated Eliashberg spectral function, the value of average electron-phonon coupling parameter is found to be 0.74 for LaRu4P12, 1.03 for LaRu4As12, and 1.08 for LaPt4Ge12. The superconducting critical temperature (Tc) values for LaRu4P12, LaRu4As12, and LaPt4Ge12 are estimated to be 6.95, 11.56, and 8.32 K, respectively, which compare well enough with their experimentally measured values of 7.2, 10.45, and 8.23 K.Some of the calculations for this project were carried out using the computing facilities on the Intel Nehalem (i7) cluster (ceres) in the School of Physics, University of Exeter, United Kingdo

Effects of spin-orbit coupling on the electron-phonon superconductivity in the cubic Laves-phase compounds CaIr2 and CaRh2

This is the final version of the article. Available from American Physical Society via the DOI in this record.We report our ab initio pseudopotential results for the structural, electronic, vibrational, and electron-phonon interaction properties of the cubic Laves-phase compounds CaIr2 and CaRh2. While the spin-orbit coupling (SOC) does not result in any appreciable changes in structural parameters, it lifts the degeneracies of some bands near the Fermi level, albeit with a much smaller amount for CaRh2. The effect of SOC on the vibrational properties of both materials is considerable. The SOC results in a slight decrease in the electronic density of states near the Fermi level N(EF) and makes low-frequency phonon branches harder, and the electron-phonon coupling parameter λ is lowered from 1.43 to 1.05 for CaIr2 and from 1.17 to 0.96 for CaRh2. On the other hand, the logarithmically averaged phonon frequency ωln is enhanced from 79.60 to 100.97 K for CaIr2 and from 120.20 to 140.80 K for CaRh2 with the inclusion of SOC. Using the calculated values of λ and ωln, the superconducting critical temperature is determined to be 5.94 K (7.34 K without SOC) for CaIr2 and 6.97 K (9.08 K without SOC) for CaRh2. The superconducting critical-temperature values with SOC compare very well with corresponding experimental values of 5.80 and 6.40 K, indicating the importance of SOC for the physical properties of both materials.Some of the calculations for this project were carried out using the computing facilities on the Intel Nehalem (i7) cluster (ceres) in the School of Physics, University of Exeter, United Kingdom

The effect of spin orbit interaction on the physical properties of LaTSi3 (T = Ir, Pd, and Rh): First-principles calculations

This is the final version of the article. Available from AIP Publishing via the DOI in this record.We have presented the structural, elastic, electronic, phononic, and electron-phonon interaction properties of the La-based noncentrosymmetric superconductors, such as LaIrSi3, LaRhSi3, and LaPdSi3, by using the generalized gradient approximation of the density functional theory. The calculated elastic constants reveal the mechanical stability of all the studied compounds in their noncentrosymmetric structure, while the lack of inversion symmetry gives rise to lift the degeneracy of their electronic bands, except in the Γ-Z and X-P directions. The calculated Eliashberg spectral function shows that all phonon branches of these materials couple considerably with electrons, and thus, all of them make contribution to the average electron-phonon coupling parameter λ. Using the calculated values of λ and the logarithmically averaged phonon frequency ωln, the superconducting critical temperature Tc values for LaIrSi3, LaRhSi3, and LaPdSi3 are estimated to be 0.89, 2.56, and 2.40 K, respectively, which accord very well with their corresponding experimental values of 0.77, 2.16, and 2.60 K.This work was supported by the Scientific and Technical Research Council of Turkey (TÜBİTAK) (Project No. MFAG-115F135)

Two-step polarization reversal in biased ferroelectrics

Polarization reversal in polycrystalline ferroelectrics is shown to occur via two distinct and sequential domain reorientation steps. This reorientation sequence, which cannot be readily discriminated in the overall sample polarization, is made apparent using time-resolved high-energy x-ray diffraction. Upon application of electric fields opposite to the initial poling direction, two unique and significantly different time constants are observed. The first (faster time constant) is shown to be derived by the release of a residual stress due to initial electrical biasing and the second (slower time constant) due to the redevelopment of residual stress during further domain wall motion. A modified domain reorientation model is given that accurately describes the domain volume fraction evolution during the reversal process.open1

Daily Rhythms of Plasma Melatonin, but Not Plasma Leptin or Leptin mRNA, Vary between Lean, Obese and Type 2 Diabetic Men

Melatonin and leptin exhibit daily rhythms that may contribute towards changes in metabolic physiology. It remains unclear, however, whether this rhythmicity is altered in obesity or type 2 diabetes (T2DM). We tested the hypothesis that 24-hour profiles of melatonin, leptin and leptin mRNA are altered by metabolic status in laboratory conditions. Men between 45–65 years old were recruited into lean, obese-non-diabetic or obese-T2DM groups. Volunteers followed strict sleep-wake and dietary regimes for 1 week before the laboratory study. They were then maintained in controlled light-dark conditions, semi-recumbent posture and fed hourly iso-energetic drinks during wake periods. Hourly blood samples were collected for hormone analysis. Subcutaneous adipose biopsies were collected 6-hourly for gene expression analysis. Although there was no effect of subject group on the timing of dim light melatonin onset (DLMO), nocturnal plasma melatonin concentration was significantly higher in obese-non-diabetic subjects compared to weight-matched T2DM subjects (p<0.01) and lean controls (p<0.05). Two T2DM subjects failed to produce any detectable melatonin, although did exhibit plasma cortisol rhythms comparable to others in the group. Consistent with the literature, there was a significant (p<0.001) effect of subject group on absolute plasma leptin concentration and, when expressed relative to an individual’s 24-hour mean, plasma leptin showed significant (p<0.001) diurnal variation. However, there was no difference in amplitude or timing of leptin rhythms between experimental groups. There was also no significant effect of time on leptin mRNA expression. Despite an overall effect (p<0.05) of experimental group, post-hoc analysis revealed no significant pair-wise effects of group on leptin mRNA expression. Altered plasma melatonin rhythms in weight-matched T2DM and non-diabetic individuals supports a possible role of melatonin in T2DM aetiology. However, neither obesity nor T2DM changed 24-hour rhythms of plasma leptin relative to cycle mean, or expression of subcutaneous adipose leptin gene expression, compared with lean subjects

Improved functionalization of oleic acid-coated iron oxide nanoparticles for biomedical applications

Superparamagnetic iron oxide nanoparticles can providemultiple benefits for biomedical applications in aqueous environments such asmagnetic separation or magnetic resonance imaging. To increase the colloidal stability and allow subsequent reactions, the introduction of hydrophilic functional groups onto the particles’ surface is essential. During this process, the original coating is exchanged by preferably covalently bonded ligands such as trialkoxysilanes. The duration of the silane exchange reaction, which commonly takes more than 24 h, is an important drawback for this approach. In this paper, we present a novel method, which introduces ultrasonication as an energy source to dramatically accelerate this process, resulting in high-quality waterdispersible nanoparticles around 10 nmin size. To prove the generic character, different functional groups were introduced on the surface including polyethylene glycol chains, carboxylic acid, amine, and thiol groups. Their colloidal stability in various aqueous buffer solutions as well as human plasma and serum was investigated to allow implementation in biomedical and sensing applications.status: publishe