scholarly journals Role of band structure and local-field effects in the low-energy collective electronic excitation spectra of 2H-NbSe2

2012 ◽  
Vol 86 (3) ◽  
Author(s):  
M. N. Faraggi ◽  
A. Arnau ◽  
V. M. Silkin
2022 ◽  
Vol 130 (1) ◽  
pp. 121
Author(s):  
В.И. Царюк ◽  
К.П. Журавлев

The luminescence excitation energy transfer in europium and terbium indole-3-carboxylates, indole-3-acetates and indole-3-propionates as well as ternary indolecarboxylates containing 1,10-phenanthroline and 2,2'-bipyridine molecules have been studied. The luminescence excitation spectra, the lifetimes of the 5D0 (Eu3+) and 5D4 (Tb3+) states, and the luminescence intensity are analyzed. The decisive role of ligand-metal charge transfer (LMCT) states in the quenching of the luminescence of europium aromatic carboxylates containing a π-excessive pyrrole or indole fragment is demonstrated. Most europium compounds are characterized by quenching due to the depopulation of the 5D0 state of the Eu3+ ion through the low-energy LMCT state. But in some ternary compounds, the LMCT state being of higher energy participates in the nonradiative depopulation of the excited electronic states of the ligand.


2021 ◽  
Vol 32 ◽  
Author(s):  
Hieu Nguyen-Truong

We calculate excitation spectra of cubic perovskites ATiO3 (A = Ca, Sr, Ba, Pb). The calculations are performed within the time-dependent density functional theory, including local field effects. The theoretical calculations show that the perovskites have a plasmon mode at around 12 eV, which is not observed in experiments.


2021 ◽  
Vol 75 (12) ◽  
Author(s):  
Alan Guilherme Falkowski ◽  
Romarly F. da Costa ◽  
Fábris Kossoski ◽  
Michael J. Brunger ◽  
Marco A. P. Lima

2006 ◽  
Vol 958 ◽  
Author(s):  
Fabio Trani ◽  
Domenico Ninno ◽  
Giovanni Cantele ◽  
Giuseppe Iadonisi

ABSTRACTIn this paper we discuss the role of local fields in the optical properties of silicon nanocrystals. Using a semiempirical tight binding approach, local field effects are included into the linear response theory, going beyond the standard independent particle approximation. The results show that local field effects give an important contribution to the optical properties of silicon nanocrystals, leading to a strong suppression of the absorption in the visible spectral range. This effect is attributed to the classical surface polarization contribution. A comparison between the atomistic tight binding approach and a classical dielectric model shows that the dielectric model gives reasonable results not only for large, but even for small silicon nanocrystals.


Nanomaterials ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 640
Author(s):  
Artem I. Khrebtov ◽  
Vladimir V. Danilov ◽  
Anastasia S. Kulagina ◽  
Rodion R. Reznik ◽  
Ivan D. Skurlov ◽  
...  

The passivation influence by ligands coverage with trioctylphosphine oxide (TOPO) and TOPO including colloidal CdSe/ZnS quantum dots (QDs) on optical properties of the semiconductor heterostructure, namely an array of InP nanowires (NWs) with InAsP nanoinsertion grown by Au-assisted molecular beam epitaxy on Si (111) substrates, was investigated. A significant dependence of the photoluminescence (PL) dynamics of the InAsP insertions on the ligand type was shown, which was associated with the changes in the excitation translation channels in the heterostructure. This change was caused by a different interaction of the ligand shells with the surface of InP NWs, which led to the formation of different interfacial low-energy states at the NW-ligand boundary, such as surface-localized antibonding orbitals and hybridized states that were energetically close to the radiating state and participate in the transfer of excitation. It was shown that the quenching of excited states associated with the capture of excitation to interfacial low-energy traps was compensated by the increasing role of the “reverse transfer” mechanism. As a result, the effectiveness of TOPO-CdSe/ZnS QDs as a novel surface passivation coating was demonstrated.


2000 ◽  
Vol 458 (1-3) ◽  
pp. 155-161 ◽  
Author(s):  
S Walter ◽  
V Blum ◽  
L Hammer ◽  
S Müller ◽  
K Heinz ◽  
...  

2021 ◽  
Vol 23 (35) ◽  
pp. 19647-19658
Author(s):  
Demeter Tzeli ◽  
Ioannis D. Petsalakis ◽  
Giannoula Theodorakopoulos ◽  
Faiz-Ur Rahman ◽  
Yang Yu ◽  
...  

Significant 1H upfield chemical shifts of the guests in the capsules are consequences of polarizability of chalcogens, electric field effects and peripheral chains. The effects of the electric field and of magnetic field are of equal importance.


1996 ◽  
Vol 46 (S5) ◽  
pp. 2687-2688
Author(s):  
Vladimir I. Kut'ko ◽  
Nina M. Nesterenko ◽  
Yuriy N. Kharchenko

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