Materials Literature
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In this paper, we propose an angle- and polarization-insensitive metamaterial absorber. We design a metamaterial unit cell that is based on a split ring cross resonator (SRCR). We observe that the absorption frequency and absorption ratio are insensitive to incident angles when a via array surrounds the SRR. We demons…
The hemocompatibility of superhemophobic surfaces is investigated and compared with that of hemophobic surfaces and hemophilic surfaces. This analysis indicates that only those superhemophobic surfaces with a robust Cassie-Baxter state display significantly lower platelet adhesion and activation. It is envisioned that…
Superamphiphobic coatings with low sliding angles (SAs) and high durability are very attractive in academic and industrial areas but are very challenging to invent. Here, inspired by Maya Blue, we report for the first time colorful superamphiphobic coatings with low SAs and high durability by the combination of natura…
Compared with their bulk counterparts, 2D materials can sustain much higher elastic strain at which optical quantities such as bandgaps and absorption spectra governing optoelectronic device performance can be modified with relative ease. Using first-principles density functional theory and quasiparticle GW calculatio…
BiFeO$_3$ is the most famous multiferroic material, but it has no strong spontaneous magnetization due to its antiferromagnetism. Here we show that giant ferroelectric polarization and strong spontaneous magnetization can be both realized in double perovskite Bi$_2$FeMoO$_6$ with R3 (\#146) space group based on BiFeO$…
We investigate detailed lattice dynamics of copper halides CuX (X=Cl, Br, I) using neutron inelastic scattering measurements and ab-initio calculations aimed at a comparative study of their thermal expansion behavior. We identify the low energy phonons which soften with pressure and are responsible for negative therma…
The discovery of a topological nodal-line (TNL) semimetal phase in ZrSiS has invigorated the study of other members of this family. Here, we present a comparative electronic structure study of ZrSiX (where X = S, Se, Te) using angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations. Our ARP…
The representations of a compound, called "descriptors" or "features", play an essential role in constructing a machine-learning model of its physical properties. In this study, we adopt a procedure for generating a systematic set of descriptors from simple elemental and structural representations. First it is applied…
We present a detailed numerical study on structure and local magnetic properties of $\langle 100 \rangle$ symmetric tilt grain boundaries in bcc-iron. Particular attention is paid to connection between type of grain boundary relaxation and local magnetic properties. Results from first principles calculation showed tha…
Through first-principles calculation based on the density functional theory (DFT) within the pseudo potential-plane wave (PP-PW) approach, we studied the structural, mechanical and thermal properties of Cu$_2$CdSnSe$_4$ and Cu$_2$HgSnSe$_4$ adamantine materials. The calculated lattice parameters are in good agreement…
Manufacturing materials with tailorable characteristics requires a detailed understanding of their properties as a function of temperature. A study of the mechanical stability and thermal conductivity of several hundred oxides and fluorides at temperatures up to 1000 K is presented.
The oxygen isotope ($^{16}$O/$^{18}$O) effect (OIE) on the pseudogap (charge-stripe ordering) temperature $T^{\ast}$ is investigated for the cuprate superconductor La$_{2-x}$Sr$_{x}$CuO$_{4}$ as a function of doping $x$ by means of x-ray absorption near edge structure (XANES) studies. A strong $x$ dependent and sign r…
Permalloy nanoparticles containing bacterial cellulose hydrogel obtained after reduction was compressed into a xerogel flexible sheet by hot pressing at 60 C at different pressures. The permalloy nanoparticles with an ordered structure have a bimodal size distribution centered around 25 nm and 190 nm. The smaller nano…
Carbon is conventionally not associated with magnetism, causing much of the discussion of its perspectives in nanotechnology to be centred on its electron-transport properties. Among the few existing examples of magnetic carbon production, none has found a direct route into scalable micro- and nanofabrication. Here we…
Thermal properties of solid-state materials are a fundamental topic of study with important practical implications. For example, anisotropic displacement parameters (ADPs) are routinely used in physics, chemistry, and crystallography to quantify the thermal motion of atoms in crystals. ADPs are commonly derived from d…
We propose type-II GaAsSb/GaAsN superlattices (SLs) lattice-matched to GaAs as a novel material for the 1 eV sub-cells present in highly efficient GaAs/Ge-based multi-junction solar cells. We demonstrate that, among other benefits, the spatial separation of Sb and N allows a better control over composition and lattice…
Epitaxial films have the potential to be used as model systems for fundamental investigations on the martensitic transformation in binary NiTi. In this paper, we discuss growth of binary NiTi thin films on single crystalline MgO substrates. Sputter deposition is used to grow NiTi films. Films prepared by complementary…
Spin-torque induced magnetization dynamics in a spin-torque oscillator with an in-plane (IP) magnetized free layer and an out-of-plane (OP) magnetized polarizer under IP shape-anisotropy field ($H_{\rm k}$) and applied IP magnetic field ($H_{\rm a}$) was theoretically studied based on the macrospin model. The rigorous…
The magnetic properties tuning and volume dependence in the series of quaternary full Heusler alloys with formula Co2Cr1-xYGa (Y = Ti, V, Mn, Fe, Co, Ni) were studied with a detailed first-principles exploration. We employ the density functional KKR method with the coherent potential approximation, estimating effectiv…
We use the density-matrix renormalization group, applied to a one-dimensional model of continuum Hamiltonians, to accurately solve chains of hydrogen atoms of various separations and numbers of atoms. We train and test a machine-learned approximation to $F[n]$, the universal part of the electronic density functional,…