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Energy efficient, safe and reliable Li-ion batteries (LIBs) are required for a wide range of applications. Charging capabilities of thick electrodes still holding their stored high-energy is a most desirable characteristic in future…
The surface coating of cathodes using insulator films has proven to be a promising method for high-voltage cathode stabilization in Li-ion batteries. However, there is still substantial uncertainty about how these films function,…
In an attempt to provide a clearer understanding of the impressive increase in T_c under pressure in elemental Li, linear response calculation of the phonon dispersion curves, electron-phonon matrix elements, phonon linewidths and mode…
In this study, we present a comprehensive analysis of the Raman active phonon modes in orthorhombic LaInO$_3$ based on a combination of polarization-angle resolved Raman spectroscopy and density functional theory calculations. By using…
Layered LiMnO$_2$ and Li$_2$MnO$_3$ are of great interest for lithium-ion battery cathodes because of their high theoretical capacities. The practical application of these materials is, however, limited due to poor electrochemical…
Knowledge of lattice anharmonicity is essential to elucidate distinctive thermal properties in crystalline solids. Yet, accurate \textit{ab initio} investigations of lattice anharmonicity encounter difficulties owing to the cumbersome…
Rare-earth orthoferrites are a promising platform for antiferromagnetic spintronics with a rich variety of terahertz spin and lattice dynamics phenomena. For instance, it has been experimentally demonstrated that the light-driven optical…
The anisotropic complex dielectric response was accurately extracted from spectroscopic ellipsometry measurements at phonon frequencies for the three principal crystallographic directions of an orthorhombic (Pbnm) YTiO_3 single crystal. We…
It has been observed in fossil tracks and experiments in the layered silicate mica muscovite the transport of charge through the cation layers sandwiched between the layers of tetrahedra-octahedra-tetrahedra. A classical model for the…
Strain engineering has been extended recently to the ultrafast timescales, driving metal-insulator phase transitions and the propagation of ultrasonic demagnetization fronts. However, the non-linear lattice dynamics underpinning interfacial…
We investigate electron-phonon coupling in many-electron systems using dynamical mean-field theory in combination with the numerical renormalization group. This non-perturbative method reveals significant precursor effects to the gap…
Yttrium iron garnet (Y3Fe5O12) is a prototypical ferrimagnetic insulator widely used in spin-wave and magnonic devices owing to its extremely low magnetic damping and long magnon propagation length, and recent experiments suggest that…
Due to its exceptional lithium storage capacity silicon is considered as a promising candidate for anode material in lithium-ion batteries (LIBs). In the present work we demonstrate that methods of the soft X-ray emission spectroscopy…
Lithium based deep eutectic solvents (DESs) are excellent candidates for eco-friendly electrolytes in lithium ion batteries. While some of these DES have shown promising results, a clear mechanism of lithium ion transport in DESs is not yet…
In rechargeable batteries, electron transport properties of inorganics in the solid-electrolyte interphase (SEI) critically determine the safety, lifespan and capacity loss of batteries. However, the electron transport properties of…
Lithium intercalated anatase used in Li-ion batteries has some special features: coexistence of Li-rich and Li-poor phases as well as two possible positions for Li ions in the oxygen tetrahedron. A theoretical description of the compound…
Understanding thermal and electrical transport in topological materials is essential for advancing their applications in quantum technologies and energy conversion. Herein, we employ first-principles calculations to systematically…
We propose and analyze a scheme to observe topological phenomena with ions in microtraps. We consider a set of trapped ions forming a regular structure in two spatial dimensions and interacting with lasers. We find phonon bands with…
Tin monoxide is an interesting two-dimensional material because of the rare oxide semiconductor with bipolar conductivity. However, the lower room temperature mobility limits the applications of SnO in the future. Thus, we systematically…
Analysis of an exactly soluble model of phonons coupled to a carrier in a quantum dot provides a clear illustration of a phonon bottleneck to relaxation. The introduction of three-phonon interactions leads to a broad window for relaxation…