Advances in the understanding of multiferroics through soft X-ray diffraction

The magneto-electric multiferroic TbMn₂O₅ has a complex magnetic structure in three different magnetically ordered phases. We have determined the nature of the induced magnetic order on the oxygen sites in the commensurate magnetic phase through full linear X-ray polarisation analysis at the oxygen K edge. This has been achieved rotating the linear polarisation of the incident beam at the source, and using multilayers to analyse the polarisation state of the scattered X-ray beam. We have confirmed that the anisotropy of the magnetic scattering at the oxygen edge is consistent with the anisotropy of the manganese magnetic structure.     

A new topological insulator built from quasi one‐dimensional atomic ribbons

A novel topological insulator with orthorhombic crystal structure is demonstrated. It is characterized by quasi one‐dimensional, conducting atomic chains instead of the layered, two‐dimensional sheets known from the established Bi₂(Se,Te)₃ system. The Sb‐doped Bi₂Se₃ nanowires are grown in a TiO₂‐catalyzed process by chemical vapor deposition. The binary Bi₂Se₃ is transformed from rhombohedral to orthorhombic by substituting Sb on ～38% of the Bi sites. Pure Sb₂Se₃ is a topologically trivial band insulator with an orthorhombic crystal structure at ambient conditions, and it is known to transform into a topological insulator at high pressure. Angle‐resolved photoemission spectroscopy shows a topological surface state, while Sb doping also tunes the Fermi level to reside in the bandgap. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Estimation of the 2.05 helix type i→i hydrogen bond energy at Aib-Oxa motif: an isodesmic approach

Bending at the valence angle N–C^α–C′ (τ) is a known control feature for attenuating the stability of the rare intramolecular i→i hydrogen bonded pseudo five-membered ring C₅ structures, the so called 2.0₅ helices, at Aib. The competitive 3₁₀-helical structures still predominate over the C₅ structures at Aib for most values of τ. However at Aib^∗, a mimic of Aib where the carbonyl O of Aib is replaced with an imidate N (in 5,6-dihydro-4H-1,3-oxazine = Oxa), in the peptidomimic Piv-Pro-Aib^∗-Oxa (1), the C₅i structure is persistent in both crystals and in solution. Here we show that the i→i hydrogen bond energy is a more determinant control for the relative stability of the C₅ structure and estimate its value to be 18.5 ± 0.7 kJ/mol at Aib^∗ in 1, through the computational isodesmic reaction approach, using two independent sets of theoretical isodesmic reactions.     

Accessing the disallowed conformations of peptides employing amide-to-imidate modification

Selective modification of the C-terminal amide in peptides to dihydrooxazine (a novel stable imidate isostere) by intramolecular nucleophilic cyclo-O-alkylation of the corresponding N-(3-bromopropyl)amides results in constraining of the C-terminal residue in natively disallowed conformations both in crystals and in solution.     

Cu3Nb2O8: a multiferroic with chiral coupling to the crystal structure

By combining bulk properties, neutron diffraction, and nonresonant x-ray diffraction measurements, we demonstrate that the new multiferroic Cu(3)Nb(2)O(8) becomes polar simultaneously with the appearance of generalized helicoidal magnetic ordering. The electrical polarization is oriented perpendicularly to the common plane of rotation of the spins-an observation that cannot be reconciled with the conventional theory developed for cycloidal multiferroics. Our results are consistent with coupling between a macroscopic structural rotation, which is allowed in the paramagnetic group, and magnetically induced structural chirality.     

Anomalous coordination behaviour of 6‐methyl‐2‐oxo‐1,2‐dihydroquinoline‐3‐carboxaldehyde‐4(N)‐substituted Schiff bases in Cu(II) complexes: Studies of structure,biomolecular interactions and cytotoxicity

A series of copper(II) complexes containing 6‐methyl‐2‐oxo‐1,2‐dihydroquinoline‐3‐carboxaldehyde‐derived Schiff bases have been synthesized and characterised using various analytical and spectroscopic techniques. X‐ray crystallographic analysis confirmed the true coordinating nature of ligands with copper ion. The ligands exhibited ONS tridentate neutral and monobasic coordination. The spectroscopic results evidenced the interaction of the ligands and their copper(II) complexes with nucleic acid/serum albumin. Further, the complexes showed significant activity against human skin cancer cell line (A431) and less toxicity against human keratinocyte cell line (HaCaT). Acridine orange/propidium iodide dual staining studies indicated that the major cause of A431 cell death was through necrosis. By comparing the biological activity of all the ligands, Cu(II) complexes and standard (cisplatin), complex [Cu(H‐6MOQtsc‐Ph)(H₂O)]?NO₃ ( 4 ) exhibited better activity than others, the activity being arranged as follows: 4  >  1  > cisplatin >  3  >  2 .     

Enhanced transmission by a grating composed of left-handed materials

We present a detailed theoretical analysis about the influence of surface polaritons on the transmission properties of electromagnetic waves at the periodically corrugated interface between the vacuum and left-handed material by using nonlinear boundary condition approach. The principle behind this approach is to match the wave fields across the grating interface by using a set of linear wave equation with nonlinear boundary conditions. The resonant transmission of the incident electromagnetic radiation in this structure is feasible within a certain frequency band, where there is a range of frequency over which both the electric permittivity and the magnetic permeability are simultaneously negative. The enhanced transmission is attributed to the coupling of the incident electromagnetic wave with the excited surface polaritons on grating interface. Finally, we present the numerical results illustrating the effect of the structural parameters and angle of incidence on the transmission spectra of a TM polarized electromagnetic wave.     

Mossbauer f factor for 35.5 keV-Te125 transition in zinc-blende type crystals

The phonon frequency distribution for Zn, Cd and Hg tellurides calculated on the basis of the rigid ion model are used to calculate the Mossbauer f factor for these compounds. The available experimental result for ZnTe is compared with the theoretically calculated value.     

Photo-orthotropic-elasticity

A method of producing transparent model materials for photo-orthotropic-elastic studies is presented. This material fabricated from glass fibers and a modified polyester matrix exhibits continuous relatively smooth fringe patterns which are linearly related to the state of stress. As such, the heterogenous material can be treated as a homogenous medium with orthotropic properties. Three photoelastic constantsf _L ,f _T andf _LT are necessary to describe the photoelastic response of the orthotropic materials to a general state of stress. Methods are established for predicting these photoelastic constants from the properties of the constituents. These methods are based on stress proportioning between the fibers and the matrix and upon the linear summation of the retardation from each constituent. The relations derived forf _L ,f _T andf _LT were verified experimentally and found to be in close agreement with measured values. A stress-optic law is derived on the basis of stress partitioning between the two constituents in a unidirectionally fiber-reinforced laminate. The adequacy of this stress-optic relation is confirmed by experimental verification. Comparison of this stress-optic relation with the expression advanced by Pih and Knight shows the validity of their initial concepts but the inadequacy of their partitioning functions. Detailed comparison of the stress-optic law with the analog relation proposed by Sampson shows excellent agreement. Indeed, the use of Sampson's stress-optic law is recommended and the law based on stress partitioning is to be considered as a fundamental theoretical proof of the Sampson relation. Finally, the applicability of Sampson's stress-optic law to bidirectionally reinforced materials was confirmed with a thorough experimental verification.     

Application of the least-squares method to elastic and photoelastic calibration of orthotropic composites

New experimental methods continue to be proposed for determining the in-plane elastic constants of orthotropic composite materials, as no single method has been found completely satisfactory. In particular, the in-plane shear modulus is difficult to measure. In this paper, an orthotropic half-plane subjected to a concentrated edge load is proposed as a calibration specimen. Photoelastic calibration of orthotropic-birefringent composites is also difficult due to the need to conserve the commercially unavailable, difficult-to-make model materials and the absence of many closed-form solutions. In this paper, the orthotropic half-plane specimen is proposed for photoelastic calibration of birefringent-orthotropic model materials also. For elastic and photoelastic calibration of orthotropic materials, the least-squares procedure is used for processing the experimental data.