Related papers: Anharmonic Lattice Dynamics in Sodium Ion Conducto…
We explore the relationship between sodium (Na$^+$) and potassium (K$^+$) gating variables in the 4-dimensional (4D) Hodgkin-Huxley (HH) electrophysiology model, and reducing its complexity by deriving new 3D and 2D models that maintain the…
We systematically study Raman spectroscopy of cleaved Na$_x$CoO$_2$ single crystals with 0.37 $\leq$ x $\leq$ 0.80. The Raman shift of A$_{1g}$ mode is found to be linearly dependent on Na content, while the Raman shift of E$_{1g}$ mode has…
We investigate the crystal structure and lattice vibrations of Sr$_2$IrO$_4$ by a combined phonon Raman scattering and x-ray powder diffraction experiment under pressures up to $66$ GPa and room temperature. Density functional theory (DFT)…
Anharmonic lattice vibrations govern the thermal dynamics in materials and present how the atoms interact and how they conduct heat. An indepth understanding of the microscopic mechanism of phonon anharmonicity in condensed systems is…
The practical application of Na-based solid-state electrolytes (SSEs) is limited by their low level of conduction. To evaluate the impact of tetrahedral anion groups on carrier migration, we designed a set of anti-perovskite SSEs…
Superionic phase transitions have attracted extensive interest for decades due to their promising applications and rich underlying physics. In particular, complicated many-body effects and nonadiabatic dynamics are believed to play…
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…
Topological phase engineering of neutral bosons loaded in an optical lattice opens a new window for manipulating of transport phenomena in such systems. Exploiting the Bose Hubbard model and using the magnetic Kubo formula proposed in this…
Control of order-disorder phase transitions is a fundamental materials science challenge, underpinning the development of energy storage technologies such as solid oxide fuel cells and batteries, ultra-high temperature ceramics, and durable…
We show that the quasi-skutterudite superconductor Sr_3Ir_4Sn_{13} undergoes a structural transition from a simple cubic parent structure, the I-phase, to a superlattice variant, the I'-phase, which has a lattice parameter twice that of the…
The lattice thermal conductivity of silicon clathrate framework Si$_{23}$ and two Zintl clathrates, [Si$_{19}$P$_{4}$]Cl$_{4}$ and Na$_{4}$[Al$_{4}$Si$_{19}$], is investigated by using an iterative solution of the linearized Boltzmann…
The intertwined charge, spin, orbital, and lattice degrees of freedom could endow 5d compounds with exotic properties. Current interest is focused on electromagnetic interactions in these materials, whereas the important role of lattice…
Three-dimensional line-nodal superconductors exhibit nontrivial topology, which is protected by the time-reversal symmetry. Here we investigate four types of short-range interaction between the gapless line-nodal fermionic quasiparticles by…
Under pressure, metals exhibit increasingly shorter interatomic distances. Intuitively, this response is expected to be accompanied by an increase in the widths of the valence and conduction bands and hence a more pronounced…
Within gauge/gravity duality, we consider finite density systems in a helical lattice dual to asymptotically anti-de Sitter space-times with Bianchi VII symmetry. These systems can become an anisotropic insulator in one direction while…
Orthorhombic Y$_{1-x}$Ca$_x$MnO$_3$ ($0 \leq x \leq 0.5$) was prepared under high pressure and the variations with $x$ of its structural, magnetic, electrical properties and the polarized Raman spectra were investigated. The lattice…
Unconventional superconductivity is characterized by the spontaneous symmetry breaking of the macroscopic superconducting wavefunction in addition to the gauge symmetry breaking, such as rotational-symmetry breaking with respect to the…
We develop a first-principles approach for the treatment of vibronic interactions in solids that overcomes the main limitations of state-of-the-art electron-phonon coupling formalisms. In particular, anharmonic effects in the nuclear…
First-order magnetostructural phase transitions underpin giant magnetocaloric effects, yet the microscopic role of lattice dynamics in these transitions remains controversial. Here we use first-principles spin-lattice dynamics simulations…
To elucidate different photoinduced melting dynamics of charge orders observed in quasi-two-dimensional organic conductors $ \theta $-(BEDT-TTF)$_2$RbZn(SCN)$_4$ and $ \alpha $-(BEDT-TTF)$_2$I$_3$…