相关论文: Infrared active phonons in monoclinic lutetium oxy…
We performed density functional theory calculations with self-consistent van der Waals corrected exchange-correlation (XC) functionals to capture the structure of black phosphorus and twelve monochalcogenide monolayers and find the…
Truly chiral phonons are lattice eigenmodes that combine broken mirror symmetry with circular atomic motion. They can mediate angular-momentum-selective interactions in quantum materials, yet directly resolving both their chirality and…
First-principles calculations have been conducted to study the structural, vibrational and dielectric properties of {\beta}-Si3N4. Calculations of the zone-center optical-mode frequencies (including LO-TO splittings), Born effective charge…
Using two pairs of lattice equations deduced from a microscopic dipole lattice model taking into account electronic polarization (EP) of ions and local field effects (LFEs) self-consistently, in-plane and out-of-plane optical vibrations in…
Electrical and optical properties of binary inhomogeneous media are currently modelled by a random network of metallic bonds (conductance $\sigma_0$, concentration $p$) and dielectric bonds (conductance $\sigma_1$, concentration $1-p$). The…
Despite of the tremendous efforts spent on the oxygen vacancy migration in determining the property optimization of oxygen-vacancy enrichment transition metal oxides, few has focused on their dynamic behaviors non-equilibrium states. In…
Atomically thin crystals of transition metal dichalcogenides (TMDs) host excitons with strong binding energies and sizable light-matter interactions. Coupled to optical cavities, monolayer TMDs routinely reach the regime of strong…
A novel non-destructive methodology for operando observation of ion intercalation and the state of charge on battery electrodes is presented based on spectroscopic ellipsometry (SE). The potentiality of this technique for performing…
Novel low-band-gap copolymer oligomers are proposed on the basis of density functional theory (DFT) quantum chemical calculations of photophysical properties. These molecules have an electron donor-accepter (D-A) architecture involving…
We present calculations of the charge density profile, subband occupancy and ellipsometry spectra of the electron gas at the LaAlO3/SrTiO3 interface. The calculations employ self-consistent Hartree and random phase approximations, a tight…
Atomic-scale disorder can create hidden optical anisotropy even in crystals that are structurally cubic on average. Here, we show that CuInSnS$_4$ single crystals host locally symmetry-broken environments arising from intrinsic In/Sn cation…
We report the results of Brillouin-Mandelstam spectroscopy and Mueller matrix spectroscopic ellipsometry of the nanoscale "pillar with the hat" periodic silicon structures, revealing intriguing phononic and photonic properties. It has been…
Molybdenum disulfide (MoS$_2$) is a promising material for making two-dimensional crystals and flexible electronic and optoelectronic devices at the nanoscale. MoS$_2$ flakes can show high mobilities and have even been integrated in…
We propose a theoretical framework for the detection of order parameter fluctuations in three dimensions using ultrafast coherent phonon spectroscopy. We focus our attention on long wavelength charge density fluctuations (plasmons), and…
The high pressure structural properties of bismuth oxide Bi2SiO5 have been investigated up to 28 GPa using in situ powder synchrotron X-ray diffraction and up to 50 GPa with DFT calculations. The monoclinic structure is found to persist up…
How to measure magnetic field induced magneto-optical (MO) activity of nonmagnetic elliptical plasmonic nanodisks which rest on a dielectric substrate remains a challenge since the substrate contribute most of the overall MO which varies…
Competing ferroelectric and charge density wave phases have been proposed to be present in the electron-phonon coupled LaO$_{1-x}$F$_{x}$BiS$_{2}$ superconductor. The lattice instability arises from unstable phonon modes that can break the…
In this investigation, we have used the density functional theory (DFT) to investigate several aspects of the half-Heusler compound HoPdBi. The following properties have been studied: spin polarized electronic properties, magnetic moment,…
Unidirectional in-plane structural anisotropy in Rhenium-based transition metal dichalcogenides (TMDs) introduces a new class of 2-D materials, exhibiting anisotropic optical properties. In this work, we perform temperature dependent,…
Controlling the spectral and polarization responses of two-dimensional (2D) crystals is vital for developing ultra-thin platforms for compact optoelectronic devices. However, independently tuning optical anisotropy and spectral response…