scholarly journals Revisiting a Perovskite-like Copper-Formate Framework NH4[Cu(HCOO)3]: Order–Disorder Transition Influenced by Jahn-Teller Distortion and above Room-Temperature Switching of the Nonlinear Optical Response between Two SHG-Active States

2020 ◽  
Vol 124 (34) ◽  
pp. 18714-18723
Author(s):  
Paulina Peksa ◽  
Jan K. Zarȩba ◽  
Maciej Ptak ◽  
Mirosl̷aw Ma̧czka ◽  
Anna Ga̧gor ◽  
...  
Keyword(s):  
Nonlinear Optical ◽  
Room Temperature ◽  
Optical Response ◽  
Nonlinear Optical Response ◽  
Teller Distortion ◽  
Disorder Transition ◽  
Copper Formate ◽  
Jahn Teller ◽  
Jahn Teller Distortion

scholarly journals Nonlinear Optical Response of a WS2 Monolayer at Room Temperature upon Multicolor Laser Excitation

ACS Photonics ◽  
2021 ◽  
Vol 8 (2) ◽  
pp. 550-556
Author(s):  
Javier Hernandez-Rueda ◽  
Marc L. Noordam ◽  
Irina Komen ◽  
L. Kuipers
Keyword(s):  
Nonlinear Optical ◽  
Room Temperature ◽  
Laser Excitation ◽  
Optical Response ◽  
Nonlinear Optical Response ◽  
Ws2 Monolayer

Strong Nonlinear Optical Response of Bilayer Graphene in the Terahertz Regime

2012 ◽  
Vol 500 ◽  
pp. 62-65
Author(s):  
Yee Sin Ang ◽  
Chao Zhang
Keyword(s):  
Nonlinear Optical ◽  
Room Temperature ◽  
Optical Response ◽  
Bilayer Graphene ◽  
Nonlinear Optical Response ◽  
Single Frequency ◽  
Terahertz Frequency ◽  
Triple Frequency ◽  
Optical Responses ◽  
Frequency Regime

We demonstrate that bilayer graphene exhibits strong nonlinear optical response in the terahertz frequency regime. The electric field strength required to generate single-frequency and triple-frequency nonlinear optical responses comparable to the linear optical response is only moderate and can be easily achieved in laboratory. This strong nonlinear optical response persists even in room temperature. This suggests that bilayer graphene can potentially be utilized in nonlinear terahertz photonics.

Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition

2010 ◽  
Vol 66 (2) ◽  
pp. 206-212 ◽  
Author(s):  
Colin A. Kilner ◽  
Malcolm A. Halcrow
Keyword(s):  
Electronic Structure ◽  
Room Temperature ◽  
Variable Temperature ◽  
Copper Ion ◽  
Coordination Geometry ◽  
Teller Distortion ◽  
Crystallographic Study ◽  
Jahn Teller ◽  
Ligand Coordination ◽  
Jahn Teller Distortion

A variable-temperature crystallographic study of [Cu(L OH)2][ClO4]2·2(CH3)2CO [L OH = 2,6-bis(hydroxyiminomethyl)pyridine] between 30 and 300 K is presented. The complex exhibits an unusual electronic structure at room temperature with a {d_{z^2}}1 ground state, corresponding to an axially compressed ligand coordination geometry about the copper ion. This reflects a suppression of the pseudo-Jahn–Teller distortion that is normally shown by copper(II) compounds with this ligand geometry [Halcrow et al. (2004). New J. Chem. 28, 228–233]. On cooling the compound undergoes an abrupt structural change at 157 ± 3 K, that does not involve a change in the space group (P\bar 1), but causes significant changes to c and the unit-cell angles. This reflects a conformational rearrangement of the complex dication, towards a more typical pseudo-Jahn–Teller elongated coordination geometry. This occurs concurrently with a crystallographic ordering of one of the two perchlorate anions, and a significant displacement of the two lattice acetone molecules. The transformation involves displacements of up to 0.5 Å in the non-H atoms of the structure at 30 K, compared with their positions at 300 K. The change in coordination geometry of the complex around 157 K is reflected in a small reduction in its magnetic moment near that temperature.

The Interplay of Open-Shell Spin-Coupling and Jahn-Teller Distortion in Benzene Radical Cation Probed by X-ray Spectroscopy

2020 ◽  
Author(s):  
Marta L. Vidal ◽  
Michael Epshtein ◽  
Valeriu Scutelnic ◽  
Zheyue Yang ◽  
Tian Xue ◽  
...  
Keyword(s):  
High Harmonic ◽  
Open Shell ◽  
Spin Coupling ◽  
High Symmetry ◽  
Teller Distortion ◽  
Spectral Window ◽  
X Ray ◽  
Jahn Teller ◽  
X Ray Absorption ◽  
Jahn Teller Distortion

We report a theoretical investigation and elucidation of the x-ray absorption spectra of neutral benzene and of the benzene cation. The generation of the cation by multiphoton ultraviolet (UV) ionization as well as the measurement of<br>the carbon K-edge spectra of both species using a table-top high-harmonic generation (HHG) source are described in the companion experimental paper [M. Epshtein et al., J. Phys.<br>Chem. A., submitted. Available on ChemRxiv]. We show that the 1sC -> pi transition serves as a sensitive signature of the transient cation formation, as it occurs outside of the spectral window of the parent neutral species. Moreover, the presence<br>of the unpaired (spectator) electron in the pi-subshell of the cation and the high symmetry of the system result in significant differences relative to neutral benzene in the spectral features associated with the 1sC ->pi* transitions. High-level calculations using equation-of-motion coupled-cluster theory provide the interpretation of the experimental spectra and insight into the electronic structure of benzene and its cation.<br>The prominent split structure of the 1sC -> pi* band of the cation is attributed to the interplay between the coupling of the core -> pi* excitation with the unpaired electron<br>in the pi-subshell and the Jahn-Teller distortion. The calculations attribute most of<br>the splitting (~1-1.2 eV) to the spin coupling, which is visible already at the Franck-Condon structure, and estimate the additional splitting due to structural relaxation to<br>be around ~0.1-0.2 eV. These results suggest that x-ray absorption with increased resolution might be able to disentangle electronic and structural aspects of the Jahn-Teller<br>effect in benzene cation.<br>

Jahn-Teller Effect in Hexahydroxocuprate(II) Complexes

1995 ◽  
Vol 60 (9) ◽  
pp. 1429-1434
Author(s):  
Martin Breza
Keyword(s):  
Hydrogen Bonding ◽  
Quantum Chemical ◽  
Potential Surface ◽  
Hydroxyl Group ◽  
Chemical Calculation ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Extremal Values ◽  
Jahn Teller Distortion

Using semiempirical CNDO-UHF method the adiabatic potential surface of 2[Cu(OH)6]4- complexes is investigated. The values of vibration and vibronic constants for Eg - (a1g + eg) vibronic interaction attain extremal values for the optimal O-H distance. The Jahn-Teller distortion decreases with increasing O-H distance. The discrepancy between experimentally observed elongated bipyramid of [Cu(OH)6]4- in Ba2[Cu(OH)6] and the compressed one obtained by quantum-chemical calculation is explainable by hydrogen bonding of the axial hydroxyl group.

Unveiling the role of Mn-interstitial defect and particle size on the Jahn-Teller distortion of the LiMn2O4 cathode material

2021 ◽  
Vol 490 ◽  
pp. 229519
Author(s):  
Renier Arabolla Rodríguez ◽  
Nelcy Della Santina Mohallem ◽  
Manuel Avila Santos ◽  
Demetrio A. Sena Costa ◽  
Luciano Andrey Montoro ◽  
...  
Keyword(s):  
Particle Size ◽  
Cathode Material ◽  
Teller Distortion ◽  
Interstitial Defect ◽  
Jahn Teller ◽  
Limn2o4 Cathode ◽  
Jahn Teller Distortion

Broadband nonlinear optical response of graphdiyne for mid-infrared solid-state lasers

2021 ◽  
Vol 64 (9) ◽  
Author(s):  
MengYu Zong ◽  
YuQian Zu ◽  
Jia Guo ◽  
Zhen Zhang ◽  
JingJing Liu ◽  
...  
Keyword(s):  
Solid State ◽  
Nonlinear Optical ◽  
Optical Response ◽  
Nonlinear Optical Response ◽  
Solid State Lasers ◽  
Mid Infrared
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