Materials Literature
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Metal-helix based metamaterials have been introduced as compact and broadband circular polarizers. However, the end of the metal wire together with the helix center defines an axis in space, which unavoidably breaks the rotational symmetry at the metamaterial surface. This introduces linear birefringence. Symmetry can…
Cells are encapsulated individually within thin and tough shells in a cytocompatible way, by mimicking the structure of bacterial endospores that survive under hostile conditions. The 3D 'cell-in-shell' structures-coined as 'artificial spores'-enable modulation and control over cellular metabolism, such as control of…
Natural resilin, the rubber-like protein that exists in specialized compartments of most arthropods, possesses excellent mechanical properties such as low stiffness, high resilience and effective energy storage. Recombinantly-engineered resilin-like polypeptides (RLPs) that possess the favorable attributes of native r…
We studied self-diffusion of small 2D Ni islands (consisting of up to 10 atoms) on Ni (111) surface using a self-learning kinetic Monte Carlo (SLKMC-II) method with an improved pattern-recognition scheme that allows inclusion of both fcc and hcp sites in the simulations. In an SLKMC simulation, a database holds inform…
Many-body perturbation theory in the GW approximation is a useful method for describing electronic properties associated with charged excitations. A hierarchy of GW methods exists, starting from non-self-consistent G0W0, through partial self-consistency in the eigenvalues (ev-scGW) and in the Green function (scGW0), t…
Recently, a new kind of spintronics material, bipolar magnetic semiconductors (BMS), has been proposed. The spin polarization of BMS can be conveniently controlled by a gate voltage, which makes it very attractive in device engineering. Now, the main challenge is finding more BMS materials. In this article, we propose…
We investigate electrical gating of photoluminescence and optical absorption in monolayer molybdenum disulfide (MoS$_2$) configured in field effect transistor geometry. We observe an hundredfold increase in photoluminescence intensity and an increase in absorption at ~660 nm in these devices when an external gate volt…
We have experimentally observed, for the first time, the very strong oscillations of the velocity of the longitudinal ultrasound attenuation in a normal metal state of the high pure type I superconductor at the magnetic field H at the low temperature of 0.4 K. The oscillations appear, following the change of either: t…
The pressure-induced phase transition, elasticity behavior, thermodynamic properties, and $P\mathtt{-}T$ phase diagram of $α$, $ω$, and $β$ equiatomic HfTi alloy are investigated using first-principles density-functional theory (DFT). The simulated pressure-induced phase transition of the alloy follows the sequence of…
By performing density functional theory (DFT) +$U$ calculations, we systematically study the electronic, mechanical, tensile, and thermodynamic properties of AmO$_{2}$. The experimentally observed antiferromagnetic insulating feature [J. Chem. Phys. 63, 3174 (1975)] is successfully reproduced. It is found that the che…
Transition metal doping is known to increase the photosensitivity to visible light for photocatalytically active ZnO. We report on the electronic structure of nano-crystalline Fe:ZnO, which has recently been shown to be an efficient photocatalyst. The photo-activity of ZnO reduces Fe from 3+ to 2+ in the surface regio…
Whether αdouble prime-Fe16N2 possesses a giant saturation magnetization (Ms) has been a daunting problem among magnetic researchers for almost 40 years, mainly due to the unshakable faith of famous Slater-Pauling (SP) curve and poor consistency on evaluating its Ms. Here we demonstrate that, using epitaxy and mis-fit…
Time-resolved emission, excitation as well as emission decay curves of CaF$_2$, SrF$_2$, BaF$_2$ doped with HoF$_3$ were investigated. Most intensive emission bands near 168 nm, having long decay time, belong to spin-forbidden transitions from 5d$^1$4f$^9$ high spin (HS) states to ground $^5$I$_8$ states of Ho$^{3+}$…
We provide a first-principles description of the crystalline and oxygen-deficient Ta2O5 using refined computational methods and models. By performing calculations on a number of candidate structures, we determined the low-temperature phase and several stable oxygen vacancy configurations, which are notably different f…
We report a synthesis route to grow iron nitride thin films with giant saturation magnetization (Ms) through an N inter-diffusion process. By post annealing Fe/Fe-N structured films grown on GaAs(001) substrates, nitrogen diffuses from the over-doped amorphous-like Fe-N layer into strained crystalline Fe layer and fac…
Magnetic materials with giant saturation magnetization have been a holy grail for magnetic researchers and condensed matter physicists for decades because of its great scientific and technological impacts. As described by the famous Slater-Pauling curve the material with highest Ms is the Fe65Co35 alloy. This was chal…
We use molecular dynamics with a first-principles-based shell model potential to study the electrocaloric effect (ECE) in lithium niobate, LiNbO(3), and find a giant electrocaloric effect along a line passing through the ferroelectric transition. With an applied electric field, a line of maximum ECE passes through the…
Polymeric nanoparticles are promising candidates as drug and gene carriers. Among polymeric nanoparticles, those that are responsive to internal or external stimuli are of greater interest because they allow more efficient delivery of therapeutics to pathological regions. Stimulus-sensitive polymeric nanoparticles hav…
Silicone has been used for peritoneal dialysis (PD) catheters for several decades. However, bacteria, platelets, proteins, and other biomolecules tend to adhere to its hydrophobic surface, which may lead to PD outflow failure, serious infection, or even death. In this work, a cross-linked poly(poly(ethylene glycol) di…
In the chemical enhancement mechanism for Raman scattering, the two types of charge-transfer models, the excited-state and the ground-state charge-transfer mechanisms, present the different dependence of the enhanced Raman signals on the excitation wavelength. To investigate the type of charge-transfer mechanism in gr…