Materials Literature
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A series of lithium and sodium complexes with OOO-tridentate bis(phenolate) ligands have been synthesized and fully characterized. The reaction of 2,2'-dihydroxy-3,3',5,5'-tetrakis[(1-methyl-1-phenyl)ethyl]dibenzyl ether (L(1)-H(2)) with different ratios of (n)BuLi in toluene or tetrahydrofuran (THF) gave [Li(2)(L(1)-…
Controlling the growth of nanoparticles (NP) in nanotechnology is crucial to produce high-quality particles with narrow size distribution. This simulation investigates the growth of colloidal semiconductor NPs in the presence of two distinctly sized NPs in the so-called “bimodal growth regime”. One of the sizes of the…
The results of neutron-scattering and angle-resolved photoemission experiments for the Fe-pnictide parent compounds, and their metallic nature, are shown to impose severe constraints on the range of values that can be considered ``realistic'' for the intraorbital Hubbard repulsion $U$ and Hund coupling $J$ in multiorb…
The optical and vibrational properties of BaTi2O5 glass prepared by containerless processing were investigated. The refractive index was 2.15 and the Abbe number was 21.5, as measured by the focal method. The glass was transparent from 340 nm to 7.7 μm. From the Raman scattering spectrum, the maximum phonon energy was…
The electron transmission between monolayer and bilayer graphene is theoretically studied for zigzag and armchair boundaries within an effective-mass scheme. Due to the presence of an evanescent wave in the bilayer graphene, traveling modes are well connected to each other. The transmission through the boundary is str…
An investigation on electronic, elastic, and optical properties of XC (X=Si, Ge, and Sn) under high pressure has been conducted using first-principles calculations based on density functional theory with the plane wave basis set as implemented in the CASTEP code. Our results demonstrate that the sequence of the pressu…
The concept of energy filtering of the carriers to control the thermoelectric properties of PbTe is experimentally applied in this present work. The energy barriers at the grain interfaces of the nanocomposites and the embedded Ag-rich nanodots within the grains are supposed to control the energy dependency of carrier…
Hydrogen-induced crack initiation in hydrogen-charged metastable austenitic stainless steels during deformation at 295 K is characterized by performing a combined tensile and hydrogen release experiment and scanning probe microscopy. Strain-induced martensite (α′) not only provides a path for rapid hydrogen diffusion…
Layers of meaning: Nanoporous anodic aluminum oxide membranes can be fabricated with multilayered surface functionalities. Membranes produced by this technique are chemically robust and mechanically stable, and show selectivity towards the transport of small molecules.
The epitaxial growth of hexagonal boron nitride on a Ag(111) surface by chemical vapor deposition of borazine ${(\text{HBNH})}_{3}$ was investigated by x-ray photoelectron spectroscopy and low-energy electron diffraction. In contrast to other transition-metal surfaces of hexagonal symmetry, such as Ni(111), Rh(111), o…
The difference in the resistance degradation behavior was investigated between fixed valence acceptor (Mg) and the variable valence acceptor (Mn)-doped BaTiO3 ceramics with an increase of each acceptor concentration. Coarse-grained specimens with uniform grain sizes and different acceptor concentrations were prepared.…
Heteroepitaxial spinel ferrites NiFe2O4 and CoFe2O4 films have been prepared by pulsed laser deposition at various temperatures (175–690 °C) under ozone/oxygen pressure of 10 mTorr. Due to enhanced kinetic energy of ablated species at low pressure and enhanced oxidation power of ozone, epitaxy has been achieved at sig…
By performing accurate ab initio density functional theory (DFT) calculations, we study the role of 4f electrons in stabilizing the magnetic-field-induced ferroelectric state of DyFeO 3 . We confirm that the ferroelectric polarization is driven by an exchange-strictive mechanism, working between adjacent spin-polarize…
We investigated the nature of the magnetic phase transition in ${\text{Ge}}_{1\ensuremath{-}x\ensuremath{-}y}{\text{Sn}}_{x}{\text{Mn}}_{y}\text{Te}$ mixed crystals with chemical composition changing in the range of $0.083\ensuremath{\le}x\ensuremath{\le}0.142$ and $0.012\ensuremath{\le}y\ensuremath{\le}0.119$. The dc…
The present article describes the size induced changes in the structural arrangement of intrinsic defects present in chemically synthesized ZnO nanoparticles of various sizes. Routine x-ray diffraction and transmission electron microscopy have been performed to determine the shapes and sizes of the nanocrystalline ZnO…
We report substantially enhanced photoluminescence (PL) from hybrid structures of graphene/ZnO films at a band gap energy of ZnO (∼3.3 eV/376 nm). Despite the well-known constant optical conductivity of graphene in the visible-frequency regime, its abnormally strong absorption in the violet-frequency region has recent…
The topological effect on thermal conductivity is investigated through the comparison among graphene nanoribbons, carbon nanorings, and the Möbius-like graphene strips (MGS) by molecular dynamics simulation. It is found that the thermal conductivity of MGS is less than one half of that of graphene nanoribbons. The und…
Magnetic properties of Co2MnGe thin films of different thicknesses (13, 34, 55, 83, 100, and 200 nm), grown by rf sputtering at 400 °C on single crystal sapphire substrates, were studied using vibrating sample magnetometry and conventional or microstrip line ferromagnetic resonance. Their behavior is described assumin…
Owing to their small mass, hydrogen atoms exhibit strong quantum behavior even at room temperature. Including these effects in first principles calculations is challenging, because of the huge computational effort required by conventional techniques. Here we present the first ab-initio application of a recently-develo…
Topological insulators are a recently discovered class of materials with fascinating properties: While the inside of the solid is insulating, fundamental symmetry considerations require the surfaces to be metallic. The metallic surface states show an unconventional spin texture, electron dynamics and stability. Recent…