相关论文: A global \textit{ab initio} dipole moment surface …
Van der Waals materials enable the construction of atomically sharp interfaces between compounds with distinct crystal and electronic properties. This is dramatically exploited in moir\'e systems, where a lattice mismatch or twist between…
The existence of the fundamental CP-violating interactions inside the nucleus leads to the existence of the nuclear Schiff moment. The Schiff moment potential corresponds to the electric field localized inside the nucleus and directed along…
We perform single- and multi-band Migdal-Eliashberg (ME) calculations with parameters exctracted from density functional theory (DFT) simulations to study superconductivity in the electric-field-induced 2-dimensional hole gas at the…
We numerically investigate critically delocalized wavefunctions in models of 2D Dirac fermions, subject to vector potential disorder. These describe the surface states of 3D topological superconductors, and can also be realized through…
First-principles calculations are a cornerstone of modern surface science and heterogeneous catalysis. However, accurate reaction energies and barrier heights are frequently inaccessible due to the approximations demanded by the large…
Electrically actuated continuous motion of a water droplet over PDMS-coated single active electrode is analyzed from detailed modeling and experiments. In an experiment, continuous motion of the droplet is achieved when it is located over…
Nodal line semimetals are characterized by nontrivial bulk-band crossings, giving rise to almost flat drumhead-like surface states (DSS), which provide an attractive playground where interaction can induce symmetry-broken states and…
A new line list for ethylene, $^{12}$C$_2$$^1$H$_4$ is presented. The line list is based on high level ab initio potential energy and dipole moment surfaces. The potential energy surface is refined by fitting to experimental energies. The…
Materials with charged chiral quasiparticles in external parallel electric and magnetic fields can support an electric current that grows linearly in time, corresponding to diverging DC conductivity. From experimental viewpoint, this…
Theory of one-electron transition density matrices has been formulated within the time-independent coupled cluster method for the polarization propagator [R. Moszynski, P. S. \.Zuchowski, and B. Jeziorski, Coll. Czech. Chem. Commun. {\bf…
The AdS/CFT correspondence may offer new and useful insights into the non-perturbative regime of strongly coupled gauge theories such as Quantum Chromodynamics. Soft-wall AdS/QCD models have reproduced the linear trajectories of meson…
Time Dependent Density Functional Theory (TDDFT) calculations have been used to understand the excited state properties of "modified-chlorophyll" f ('Chlide' f), Chlide a, Chlide b and axial ligated (with Imidazole, H2O, CH3OH, CH3COOH,…
The dc-conductivity of electrons on a square lattice interacting with a local repulsion in the presence of disorder is computed by means of quantum Monte Carlo simulations. We provide evidence for the existence of a transition from an…
In this letter, we present the first experimental study of a new chiral metamaterial consisting of toroidal wire windings. We show that the metamaterial exhibits three bands of circular dichroism in the GHz range. We discuss the response of…
The electric dipole moment of atomic $^{199}$Hg induced by the nuclear Schiff moment and tensor-pseudotensor electron-nucleus interactions has been calculated. For this, we have developed and employed a novel method based on the…
The linear band crossings of 3D Dirac and Weyl semimetals are characterized by a charge chirality, the parallel or anti-parallel locking of electron spin to its momentum. Such materials are believed to exhibit a ${\bf E} \cdot {\bf B}$…
The formation of inhomogeneous chiral condensates in QCD matter at nonzero density and temperature is investigated for the first time with Dyson-Schwinger equations. We consider two massless quark flavors in a so-called chiral density wave,…
Spontaneous formation of charge density wave (CDW) superstructures in monolayers (MLs) of a two-dimensional (2D) crystal lattice is fundamental in understanding its complex quantum states. We report a successful top-down liquid phase…
Previous work has shown that time-reversal symmetric Weyl semimetals with a quadrupolar arrangement of first-order Weyl nodes exhibit a mixed crystalline-electromagnetic response. For systems with higher order Weyl nodes, which are attached…
We studied the interaction between salts and surfactants on the water surface using heterodyne-detected vibrational sum frequency generation (HD-VSFG) spectroscopy. We used sodium dodecyl sulfate (SDS) as a prototype surfactant system at 75…