Related papers: Monitoring Vibrational Evolution in Jahn-Teller Ef…
The Jahn-Teller effect refers to the symmetry-lowering geometrical distortion in a crystal (or non-linear molecule) due to the presence of a degenerate electronic state. Usually, the Jahn-Teller distortion is not polar. Recently, GaV4S8…
Charge-state transitions of a single Cu-phthalocyanine molecule adsorbed on an insulating layer of NaCl on Cu(111) are probed by means of alternate charging scanning tunneling microscopy. Real-space imaging of the electronic transitions…
Understanding the relaxation pathways of photoexcited molecules is essential to gain atomistic level insight into photochemistry. Herein, we perform a time-resolved study of ultrafast molecular symmetry breaking via geometric relaxation…
Atomic vibrations control all thermally activated processes in materials including diffusion, heat transport, phase transformations, and surface chemistry. Recent developments in monochromated, aberration-corrected scanning transmission…
Direct analytical and numerical calculation show that two-electron atomic configuration can be unstable with respect to a static or dynamic shift of the electron shells. This enables to develop a so called non-rigid shell model for a…
A recursive method is developed to treat electrons coupled to phonons. It is applied to small systems with $E\otimes\beta$ Jahn-Teller coupling. Two cases are considered, a model with one electron and two orbitals on a single site (related…
We study the polaritonic states and dynamics of multiple Jahn-Teller (JT) active molecules coupled to the modes of a Fabry-Perot cavity. We find that collective effects dramatically alter the interplay of electronic, vibrational and cavity…
The multi-order Raman scattering is studied up to a fourth order for a detwinned LaMnO_3 crystal. Based on a comprehensive data analysis of the polarisation-dependent Raman spectra, we show that the anomalous features in the multi-order…
Using first-principles total-energy methods, we investigate Jahn-Teller distortions in III-V dilute magnetic semiconductors, GaAs:Mn and GaN:Mn in the cubic zinc blende structure. The results for an isolated Mn impurity on a Ga site show…
The deviation of positions of atoms from their ideal lattice sites in crystalline solid state systems causes distortion and can lead to variation in structural [1] and functional properties [2]. Distortion in molecular systems has been…
The dynamical Jahn-Teller effect of C$_{60}^{n-}$ anions ($n = $ 1-5) is studied using the numerical diagonalization of the linear $p^n \otimes 8d$ Jahn-Teller Hamiltonian with the currently established coupling parameters. It is found that…
A synchrotron x-ray diffraction study of the crystallographic structure of PrO2 in the Jahn-Teller distorted phase is reported. The distortion of the oxygen sublattice, which was previously ambiguous, is shown to be a chiral structure in…
Experiments have shown that the internal vibrational state of a molecule can affect the intensity of high harmonic light generated from that molecule. This paper presents a model which explains this modulation in terms of interference…
Tip-enhanced Raman scattering (TERS) has emerged as a powerful tool to obtain subnanometer spatial resolution fingerprints of atomic motion. Theoretical calculations that can simulate the Raman scattering process and provide an unambiguous…
The Raman response of the metallic glass Ni$_{67}$Zr$_{33}$ is measured as a function of polarization and temperature and analyzed theoretically. Unexpectedly, the intensity in the range up to 300\wn increases upon cooling, which is…
Surface enhanced Raman spectra from molecules (bipyridyl ethylene) adsorbed on gold dumbells are observed to become increasingly asymmetric (Fano-like) at higher incident light intensity. The electronic temperature (inferred from the…
Spin-orbit coupling plays a pivotal role in condensed matter physics. For instance, spin-orbit interactions affect the magnetization and transport dynamics in solids, while spins and momenta are locked in topological matter. Alternatively,…
We present an ab-initio and analytical study of the Jahn-Teller effect in two diluted magnetic semiconductors (DMS) with d4 impurities, namely Mn-doped GaN and Cr-doped ZnS. We show that only the combined treatment of Jahn-Teller distortion…
We report on the behavior of Ge-Ge, Ge-Sn, Sn-Sn like and disorder-activated vibrational modes in GeSn semiconductors investigated using Raman scattering spectroscopy. By using an excitation wavelength close to E1 gap, all modes are clearly…
A C$_3$-symmetric crystal-field potential in the Fe(II)Fe(III) bimetallic oxalates splits the L=2 Fe(II) multiplet into two doublets and a singlet. In compounds that exhibit magnetic compensation, one of the doublets was predicted to lie…