Materials Literature
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We present state-of-the-art electronic structure calculations for the Co$_2$MnSn full-Heusler alloy. We show that in its bulk form it is a half-metallic ferromagnet with the Fermi level being located within a tiny gap of the minority-spin density of states. Moreover the alloy shows the Slater-Pauling behavior with a t…
Applying the analytical closed-form solutions of the 'quasi-static' potential distribution around two conjoined resonant half-cylinders with different permittivities, reported in the first part of our manuscript, here we interpret these results in terms of our nanocircuit paradigm applicable to nanoparticles at infrar…
Following our recent development of the paradigm for extending the classic concepts of circuit elements to the infrared and optical frequencies [N. Engheta, A. Salandrino, A. Alu, Phys. Rev. Lett. 95, 095504 (2005)], in this paper we investigate the possibility of connecting nanoparticles in series and in parallel con…
The accurate description of molecule-surface interactions requires a detailed knowledge of the underlying potential-energy surface (PES). Recently, neural networks (NNs) have been shown to be an efficient technique to accurately interpolate the PES information provided for a set of molecular configurations, e.g., by f…
Molecular targeting and photodynamic therapy have shown great potential for selective cancer therapy. We hypothesized that monoclonal antibodies that are specific to the IGF1 receptor and HER2 cell surface antigens could be bound to single wall carbon nanotubes (SWCNT) in order to concentrate SWCNT on breast cancer ce…
Results are presented of single crystal structural, thermodynamic, and reflectivity measurements of the double-perovskite Ba2NaOsO6. These characterize the material as a 5d1 ferromagnetic Mott insulator with an ordered moment of approximately 0.2microB per formula unit and TC=6.8(3) K. The magnetic entropy associated…
The low-coverage adsorption of a molecular electron donor, tetrathiafulvalene, on Au(111) is characterized by the spontaneous formation of superlattice of monomers, whose spacing exceeds the equilibrium distance of non-covalent interactions and depends on coverage. The origin of this peculiar growth mode is due to a l…
We have investigated the dielectric anomalies associated with spin-ordering transitions in the tetragonal spinel ${\mathrm{Mn}}_{3}{\mathrm{O}}_{4}$ using thermodynamic, magnetic, and dielectric measurements. We find that two of the three magnetic ordering transitions in ${\mathrm{Mn}}_{3}{\mathrm{O}}_{4}$ lead to dec…
We performed first-principles calculations to investigate the possible magnetism induced by different concentrations of nonmagnetic impurities and vacancies in a $\mathrm{BN}$ sheet. Atoms of Be, B, C, N, O, Al, and Si are used to replace either B or N in the system as impurities. We discuss the changes in the density…
We provide a complete quantitative explanation for the anisotropic thermal expansion of hcp Ti at low temperature. The observed negative thermal expansion along the c axis is reproduced theoretically by means of a parameter free theory which involves both the electron and phonon contributions to the free energy. The t…
We report on simple experiment on temperature-dependent Hall effect measurements in GaMnAs single crystalline samples with Mn composition estimated at 0.05-0.3 at.% which is slightly below the onset of ferromagnetism. Impurity band transport is visible for Mn compositions of ~0.3 at.% as a clear metallic behaviour. Th…
Star formation: Polymeric [Fe3(μ3-O)(μ-OAc)6(H2O)3][Fe3(μ3-O)μ-OAc)7.5]2⋅7 H2O is synthesized by linking triangular {Fe3(μ3-O)} clusters through anti-anti bridging acetate ligands (see picture; red and blue: Fe, orange: O). Spin frustration and long-range magnetic order coexist in this compound below 4.5 K (see graph).
The intershell and interlayer interaction (complexation) energies of C 60 inside C 240 (C 60 @C 240 ) and of graphene sheets are investigated by all-electron density functional theory (DFT) using generalized gradient approximation (GGA) functionals and a previously developed empirical correction for dispersion (van de…
A physical mechanism for the freezing of polar nanoregions (PNRs) in relaxor ferroelectrics is presented. Assuming that the activation energy for the reorientation of a cluster of PNRs scales with the mean volume of the cluster, the characteristic relaxation time $\ensuremath{\tau}$ is found to diverge as the cluster…
Sintering of Ceramics provides a comprehensive treatment of the theories and principles of sintering and their application to the production of advanced ceramics with the required target microstructure. Revised and updated throughout, this Second Edition reflects the main developments in the field since publication of…
A new, weakly damped, transverse electromagnetic mode is predicted in graphene. The mode frequency $\ensuremath{\omega}$ lies in the window $1.667<\ensuremath{\hbar}\ensuremath{\omega}/\ensuremath{\mu}<2$, where $\ensuremath{\mu}$ is the chemical potential, and can be tuned from radio waves to the infrared by ch…
A broadband frequency domain fluorescence lifetime system (from ns to ms time scale) has been developed to study the photochemical and photodynamic behavior of model, well-controlled photosensitizer-encapsulating liposomes. Liposomes are known to be efficient and selective photosensitizer (PS) drug delivery vesicles,…
We report structural (helical pitch), electro-optical (tilt angle and spontaneous polarization) and dielectric (Goldstone mode) investigations of ferroelectric liquid crystals (FLCs) exhibiting the chiral smectic C phase (SmC(*)). All these characterizations were performed on two pure FLCs showing the SmC(*)-SmA-N(*)…
In this work the results of research on polyethylene terephthalate depolymerization by the chemical recycling method in the fused state with use of alkalis are submitted. The potential of terephthalic acid and ethylene glycol reception from polymer with addition of alkalis in the melt is shown. It is established that…
Abstract Flame retardant high impact polystyrene (HIPS) was prepared by melt blending HIPS, nano‐modified aluminum trihydrate (nano‐CG‐ATH), red phosphorus masterbatch (RPM), and modified polyphenylene oxide (MPPO). Styrene‐butadiene‐styrene (SBS) was used as a toughener in this research. The effects of nano‐CG‐ATH, R…