相关论文: Circular Dichroism of Crystals from First Principl…
Strong enhancement of molecular circular dichroism has the potential to enable efficient asymmetric photolysis, a method of chiral separation that has conventionally been impeded by insufficient yield and low enantiomeric excess. Here, we…
The relation between crystal symmetries, electron correlations, and electronic structure steers the formation of a large array of unconventional phases of matter, including magneto-electric loop currents and chiral magnetism. Detection of…
Photoelectron circular dichroism (PECD) is a method whereby randomly oriented chiral molecules are irradiated by circularly-polarized light, photoionizing electrons, which are measured in a momentum-resolved manner. This scheme permits…
The helical distribution of the electronic density in chiral molecules, such as DNA and bacteriorhodopsin, has been suggested to induce a spin-orbit coupling interaction that may lead to the so-called chirality-induced spin selectivity…
Circular dichroism is the differential rate of absorption of right- and left-handed circularly polarized light by chiral particles. Optical vortices which convey orbital angular momentum (OAM) possess a chirality associated with the…
We investigate the influence of spin polarization in strongly interacting matter by introducing a finite spin potential, $\mu_\Sigma$, which effectively controls the spin density of the system without requiring rotation or specific boundary…
Chiral molecules exhibit enantiosensitive light-matter interactions, with photoelectron circular dichroism (PECD) serving as a sensitive probe of molecular chirality through the asymmetry in the photoelectron wavepacket amplitude. Here, we…
Determining crystal structures from powder X-ray diffraction (PXRD) has been a significant challenge in materials science, particularly when experimental data contain noise or the target structure has a high complexity. While recent AI…
Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. Herein, we propose a method based upon a multi-objective…
Symmetry classification of crystal structures has been central to predicting physical properties of materials. While such structural classification identifies which physical responses are symmetry-allowed, the magnitudes of these responses…
The prediction of material structure from chemical composition has been a long-standing challenge in natural science. Although there have been various methodological developments and successes with computer simulations, the prediction of…
Nature creates electrons with two values of the spin projection quantum number. In certain applications, it is important to filter electrons with one spin projection from the rest. Such filtering is not trivial, since spin-dependent…
Spin-resolved photoelectron spectroscopy (PES) is a major experimental probe of chirality-induced spin selectivity (CISS), yet it remains unclear whether the measured spin polarization reflects molecular chirality itself or the broader…
Chiral response is of tremendous importance to many fields, such as analytical chemistry, polarization manipulation and biological sensing. Here, a chiral metasurface based on rectangular holes is systematically investigated. The results…
Spin-orbit coupling in crystals is known to lead to unusual direction dependent exchange interactions, however understanding of the consequeces of such effects in molecular crystals is incomplete. Here we perform four component relativistic…
We present a formulation for the construction of first order equations which describe particles with spin, in the context of a manifestly covariant relativistic theory governed by an invariant evolution parameter; one obtains a consistent…
We propose a Babinet-invertible chiral metasurface for achieving dynamically reversible and strong circular dichroism (CD). The proposed metasurface is composed of VO$_2$-metal hybrid structure, and when VO$_2$ transits between the…
Large optical chirality in the vicinity of achiral high index dielectric nanostructures has been recently demonstrated as useful means of enhancing molecular circular dichroism. We theoretically study the spatial dependence of optical…
We propose a method to perform a configuration determination for chiral and/or polar crystals by utilizing anisotropy of NMR shift. The chirality (handedness) or polarity of a crystal, that is characterized by its sign, can be extracted…
Chiral molecule assignation is crucial for asymmetric catalysis, functional materials, and the drug industry. The conventional approach requires theoretical calculations of electronic circular dichroism (ECD) spectra, which is…