Materials Literature
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Two dimensional electron gases (2DEGs) formed at the interfaces of oxide heterostructures draw considerable interest owing to their unique physics and potential applications. Growing such heterostructures on conventional semiconductors has the potential to integrate their functionality with semiconductor device techno…
We use density functional theory (DFT) to study the thermodynamic stability and migration of copper ions and small clusters embedded in amorphous silicon dioxide. We perform the calculations over an ensemble of statistically independent structures to quantify the role of the intrinsic atomic-level variability in the a…
A metallic surface is realized on stoichiometric and insulating (100) ${\mathrm{SrTiO}}_{3}$ by ${\mathrm{Ar}}^{+}$-ion irradiation. The sheet carrier density and Hall mobility of the layer are $\ensuremath{\sim}4.0\ifmmode\times\else\texttimes\fi{}{10}^{14}\phantom{\rule{0.28em}{0ex}}{\text{cm}}^{\ensuremath{-}2}$ an…
The synthesis, structures, and magnetic properties of a family of air-stable star-shaped Co(II)Co(III)3 complexes were investigated. These complexes contain only one paramagnetic Co(II) ion with the approximate D3 coordination environment in the center and three diamagnetic Co(III) ions in the peripheral. Magnetic stu…
The development and first applications of a new periodic energy decomposition analysis (pEDA) scheme for extended systems based on the Kohn-Sham approach to density functional theory are described. The pEDA decomposes the bonding energy between two fragments (e.g., the adsorption energy of a molecule on a surface) int…
Thermoelectric coolers or Peltier coolers are used to pump heat in the opposite direction of the natural heat flux. These coolers have also been proposed for electronic cooling, wherein the aim is to pump heat in the natural heat flux direction and from hot spots to the colder ambient temperature. In this manuscript,…
In this work, we report elastocaloric effect (eCE) in Ni-Fe-Ga polycrystalline alloys. By application of a uniaxial compressive stress of 170 MPa at 298 K, a large and recoverable temperature change of 4 K has been obtained in precipitates-containing Ni54Fe19Ga27 alloys. The degradation of eCE is insensitive to 100 lo…
Electronic and magnetic properties of ${\mathrm{Ga}}_{1\ensuremath{-}}{}_{x}\text{Mn}{}_{x}\text{As}$, obtained from first-principles calculations employing the hybrid HSE06 functional, are presented for $x=6.25%$ and 12.5% under pressures ranging from 0 to 15 GPa. In agreement with photoemission experiments at ambien…
The magnitude of the spin polarization at the Fermi level of ferromagnetic materials at room temperature is a key property for spintronics. Investigating the Heusler compound ${\mathrm{Co}}_{2}\mathrm{MnSi}$, a value of $93%$ for the spin polarization has been observed at room temperature, where the high spin polariza…
Semiconducting transition metal dichalcogenides (TMDCs) have attracted a lot of attention recently, because of their interesting electronic, optical, and mechanical properties. Among large numbers of TMDCs, monolayer of tungsten diselenides (WSe2) is of particular interest since it possesses a direct band gap and tuna…
We have developed a polarized hard X-ray photoemission (HAXPES) system to study the ground-state symmetry of strongly correlated materials. The linear polarization of the incoming X-ray beam is switched by the transmission-type phase retarder composed of two diamond (100) crystals. The best degree of the linear polari…
The predictive power of the ab initio Bethe-Salpeter equation (BSE) approach, rigorously based on many-body Green's function theory but incorporating information from density functional theory, has already been demonstrated for the optical gaps and spectra of solid-state systems. Interest in photoactive hybrid organic…
We have performed bulk-sensitive spin-resolved photoemission spectroscopy in order to clarify the intrinsic spin-resolved electronic states of half-metallic ferromagnet CrO2. We used CrO2 epitaxial films on TiO2(100), which shows a peak at 1 eV with a clear Fermi edge, consistent with the bulk-sensitive PES spectrum f…
The electrocaloric effect (ECE), i.e., the adiabatic temperature change ΔTEC, of the lead-free relaxor ferroelectric 0.85K0.5Na0.5NbO3-0.15SrTiO3 (KNN-STO) ceramics is investigated. The ECE data obtained by a direct method show the existence of a large ECE near the temperature of the dielectric permittivity maximum. D…
Building of hierarchical core-shell hetero-structures is currently the subject of intensive research in the electrochemical field owing to its potential for making improved electrodes for high-performance micro-supercapacitors. Here we report a novel architecture design of hierarchical MnO2@silicon nanowires (MnO2@SiN…
The widely popular class of quantum-dot molecular labels could so far not be utilized as standard fluorescent probes in STED (stimulated emission depletion) nanoscopy. This is because broad quantum-dot excitation spectra extend deeply into the spectral bands used for STED, thus compromising the transient fluorescence…
The introduction of electromagnetic (EM) media with unique field manipulation properties, collectively labelled as metamaterials, has boosted the interest toward the design, the fabrication, and the testing of artificial materials whose features can be engineered according to the applicative requirements and user obje…
Porous graphitic carbon is essential for many applications such as energy storage devices, catalysts, and sorbents. However, current graphitic carbons are limited by low conductivity, low surface area, and ineffective pore structure. Here we report a scalable synthesis of porous graphitic carbons using a conjugated po…
Metal clusters have been very attractive due to their aesthetic structures and fascinating properties. Different from nanoparticles, each cluster of a macroscopic sample has a well-defined structure with identical composition, size, and shape. As the disadvantages of polydispersity are ruled out, informative structure…
In this paper, a double V-shaped metasurface that can efficiently convert linear polarizations of electromagnetic (EM) waves in wideband is proposed. Based on the electric and magnetic resonant features of a single V-shaped particle, four EM resonances are generated in a V-shaped pair, leading to significant bandwidth…