相关论文: Atomic transfers between implanted bioceramics and…
In this work, we demonstrate a remarkable change of chemical trend of Iron under high pressure that is of great importance for understanding the distribution of elements in the Earth's mantle and core. Using first principles crystal…
We review theories of phosphorescence in cyclometalated complexes. We focus primarily on pseudooctahedrally coordinated $t_{2g}^6$ metals (e.g., [Os(II)(bpy)$_3$]$^{2+}$, Ir(III)(ppy)$_3$ and Ir(III)(ptz)$_3$) as, for reasons that are…
The transferred hyperfine interaction between nuclear and electron spins in an heavy fermion material depends on the hybridization between the $f$-electron orbitals and those surrounding a distant nucleus. In CeMIn$_5$ (M=Rh, Ir, Co), both…
The plasmon oscillations in a cluster of two metallic nanospheres are studied theoretically. Particular attention is paid to the case of nearly touching spheres. Simple analytical expressions have been found for the spectra of plasmon…
The main goal of this work is to clarify and quantify, by means of mathematical analysis, the role of structural viscoelasticity in the biomechanical response of deformable porous media with incompressible constituents to sudden changes in…
Segregation of alloying elements and impurities at grain boundaries (GBs) critically influences material behavior by affecting cohesion. In this study, we present an ab initio high-throughput evaluation of segregation energies and cohesive…
Interactions between organic species and natural minerals are fundamental to the processes around us. With the aid of molecular dynamics simulations, we identify key adsorption mechanisms of apigenin on smectite clay minerals. The mechanism…
Thin molecular films under model conditions are often exploited as benchmarks and case studies to investigate the electronic and structural changes occurring on the surface of metallic electrodes. Here we show that the modification of a…
The first numerical simulation of the process of ionization of an atom adsorbed on a metal surface by the subfemtosecond pulse is presented. The streaking scheme is considered, when a weak sub-femtosecond pulse comes together with a strong…
Correlation computations on multiband Hubbard Hamiltonians are presented. It is shown why the proper degeneracy is of vital importance and that the atomic exchange interaction plays a particular role. The different methods are connected,…
Scanning transmission electron microscopy (STEM) has advanced rapidly in the last decade thanks to the ability to correct the major aberrations of the probe forming lens. Now atomic-sized beams are routine, even at accelerating voltages as…
High-density afferents in the human hand have long been regarded as essential for human grasping and manipulation abilities. In contrast, robotic tactile sensors are typically used to provide low-density contact data, such as…
We examine the optical properties of metals containing a periodic arrangement of nonoverlapping spherical mesopores, empty or filled with a dielectric material. We show that a slab of such a porous metal transmits light over regions of…
Exact calculated time evolutions in the framework of a many-electron model of itinerant magnetism provide new insights into the laser-induced ultrafast demagnetization observed in ferromagnetic (FM) transition metal thin films. The…
Orientational ordering driven by mechanical distortion of soft substrates plays a major role in material transformation processes such as elastocapillarity and surface anchoring. We present a theoretical model of the orientational response…
We examined the characteristics of a metal-insulator transition on a two-dimensional non-bipartite lattice when both disorders and electron interactions are present. Using a real-space renormalization group method and finite-size scaling…
In this paper, attention is drawn to the importance of accounting for osmotic pressure when analyzing physiological effects on cellular structures in plasma medicine. Interaction of a weakly ionized plasma jet with a saline solution leads…
The heavy and superheavy elements of the periodic table predominately disintegrate by {\alpha}-decay, facilitating transitions mainly between ground states and occasionally involving isomeric states. This study focuses on estimating the…
We present an ab-initio-based effective interaction model (EIM) for the study of magnetism, thermodynamics, and their interplay in body-centered cubic Fe-Co alloys, with Co content from 0 to 70%. The model includes explicitly both spin and…
Interferometry with ultracold atoms promises the possibility of ultraprecise and ultrasensitive measurements in many fields of physics, and is the basis of our most precise atomic clocks. Key to a high sensitivity is the possibility to…