scholarly journals The Role of Fermi Resonance in Formation of Valence Band of Water Raman Scattering

2008 ◽  
Vol 2008 ◽  
pp. 1-4 ◽  
Author(s):  
Sergey A. Burikov ◽  
Tatiana A. Dolenko ◽  
Victor V. Fadeev
Keyword(s):  
Genetic Algorithms ◽  
Raman Scattering ◽  
Valence Band ◽  
Simultaneous Measurement ◽  
Fermi Resonance ◽  
Coupling Constant ◽  
Resonance Contribution ◽  
Resonance Coupling ◽  
Valence Bands

The role of Fermi resonance in formation of valence band of water Raman scattering was investigated. Simultaneous measurement of characteristics of bending and valence bands of water in solutions, KBr, and KCl and using genetic algorithms in conjunction with variation methods allowed increasing accuracy of estimation of Fermi resonance coupling constant and of Fermi resonance contribution into formation of water Raman valence band.

scholarly journals Fermi resonance as a means to determine the hydrogen-bonding status of two infrared probes

2017 ◽  
Vol 19 (24) ◽  
pp. 16144-16150 ◽  
Author(s):  
Jeffrey M. Rodgers ◽  
Rachel M. Abaskharon ◽  
Bei Ding ◽  
Jianxin Chen ◽  
Wenkai Zhang ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Functional Group ◽  
Fermi Resonance ◽  
Coupling Constant ◽  
Resonance Coupling ◽  
Infrared Probes

This study shows that the Fermi resonance coupling constant (W) is indicative of the hydrogen-bonding status of a CO or CN functional group.

scholarly journals Delineating the Polarized and Unpolarized Parton Structure of the Nucleon

2015 ◽  
Vol 37 ◽  
pp. 1560053
Author(s):  
Pedro Jimenez-Delgado
Keyword(s):  
Parton Distribution ◽  
Distribution Functions ◽  
Distribution Analysis ◽  
Coupling Constant ◽  
Parton Distribution Functions ◽  
Careful Treatment ◽  
Future Data ◽  
The Impact

Reports on our latest extractions of parton distribution functions of the nucleon are given. First an overview of the recent JR14 upgrade of our unpolarized PDFs, including NNLO determinations of the strong coupling constant and a discussion of the role of the input scale in parton distribution analysis. In the second part of the talk recent results on the determination of spin-dependent PDFs from the JAM collaboration are reported, including a careful treatment of hadronic and nuclear corrections, as well as reports on the impact of present and future data in our understanding of the spin of the nucleon.

Band Tailing and Transport in a-SiGe:H-Alloys

1989 ◽  
Vol 149 ◽  
Author(s):  
G. H. Bauer ◽  
C. E. Nebel ◽  
M. B. Schubert ◽  
G. Schumm
Keyword(s):  
Raman Scattering ◽  
Valence Band ◽  
State Density ◽  
Conduction Band Edge ◽  
Compound Structure ◽  
Tail State ◽  
Photocurrent Spectroscopy ◽  
Transport Studies ◽  
Small X ◽  
Band Tailing

ABSTRACTOptical and transport studies of both cb- and vb-tail states in a-Si1−xGex:H such as subband absorption (PDS), instationary photocurrent experiments (TOF, PTS) for electrons and holes, Modulated Photocurrent Spectroscopy (MPS), and Raman scattering have been performed. The main consequences of Ge-alloying into the a-Si:H network are i) an increase in cb-tail state density at the conduction band edge and in the exponential cb- tail even for small x (O<x<0.3), accompanied by ii) a rise in deep cb-tail and midgap states which to some extent can be reduced by appropriate deposition methods; iii) at the valence band side up to x≈0.3 the tail seems not to be affected at all and for 0.3<x<0.9 the vb-tail obviously can be kept similar to that of a-Si:H (Evo≈(50–60) meV). Halfwidths of Raman TO-like modes point to the existence of a rigid Si-network in O<x<0.3 in which Ge is incorporated and to a transition at x>0.35 into a Si-Ge compound structure with maximum disorder at x≈0.5.

The Role of Constraints and Human Interaction in Evolving MEMS Designs: Microresonator Case Study

2004 ◽  
Author(s):  
Raffi Kamalian ◽  
Alice M. Agogino ◽  
Hideyuki Takagi
Keyword(s):  
Genetic Algorithms ◽  
Geometric Constraints ◽  
Human Interaction ◽  
Design System ◽  
Current State ◽  
Mems Resonator ◽  
Computer Aided ◽  
Generative Methods

In this paper we review the current state of automated MEMS synthesis with a focus on generative methods. We use the design of a MEMS resonator as a case study and explore the role that geometric constraints and human interaction play in a computer-aided MEMS design system based on genetic algorithms.

scholarly journals Simple Modeling of the Ratio of Fields at a Tip and a Contacting Surface with External Illumination

2018 ◽  
Vol 2018 ◽  
pp. 1-6 ◽  
Author(s):  
E. Bortchagovsky
Keyword(s):  
External Field ◽  
Raman Scattering ◽  
External Excitation ◽  
Exciting Field ◽  
Rayleigh Approximation ◽  
Surface Configuration ◽  
Standard Configuration ◽  
Enhanced Raman Scattering ◽  
Simple Modeling

The analysis of the relation of fields generated at a tip and a contacting surface is performed in the Rayleigh approximation of a simple dipole model for the standard configuration of tip-enhanced Raman scattering experiments with external excitation. A comparison of the present results with the previous ones obtained for the case of tip-source reveals the role of tip-surface configuration as the amplifier of the exciting field and the stronger influence of roughness on the field distribution at external illumination, as roughness is directly excited by the external field producing second source of field in addition to the tip.

Core Level Shifts and Grain Boundary Cohesion

1998 ◽  
Vol 4 (S2) ◽  
pp. 766-767
Author(s):  
D. A. Muller
Keyword(s):  
Charge Transfer ◽  
Valence Band ◽  
Core Level ◽  
Level Shift ◽  
The Core ◽  
Metallic Interfaces ◽  
Level Shifts ◽  
Electron Energy Loss ◽  
Valence Band Width

The role of core level shifts at metallic interfaces has often been ignored in electron energy loss spectroscopy (EELS) even though very small changes in bond length can lead to large core level shifts. However, the popular interpretation of core level shifts as measures of charge transfer is highly problematic. For instance, in binary alloys systems, the core level shifts can be the same sign for both atomic constituents[l]. The simple interpretation would require that both atomic species had lost or gained charge. Further, the signs of the core level shifts can be opposite to those expected from electronegativity arguments[2]. A core level shift (CLS) is still possible, even when no charge transfer occurs. As illustrated in Fig. 1, if the valence band width is increased, the position of the center of the valence band with respect to the Fermi energy will change (as the number of electrons remains unchanged).

scholarly journals Детерминизм локального атомного упорядочения в монослоях золота в формировании их электронной структуры

2022 ◽  
Vol 64 (3) ◽  
pp. 303
Author(s):  
В.Л. Карбовский ◽  
А.А. Романский ◽  
Л.И. Карбовская ◽  
В.В. Стонис
Keyword(s):  
Coordination Sphere ◽  
Electronic States ◽  
Mutual Arrangement ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
The Third ◽  
Long Range Interactions ◽  
Valence Bands ◽  
D Orbitals

The total and partial densities of electronic states of gold monolayer structures of different symmetry are calculated by the quantum mechanical calculations methods in the DFT approximation. It is shown that the first coordination sphere is determinant in the formation of the fine structure and the extent of the valence bands of the monolayer gold structures under study. The peaks splitting of the TDOS curve, which leads to its finer structure, is influenced not only by the lengths of interatomic bonds but also by the mutual arrangement of atoms. The influence of long-range interactions on the electronic structure of gold monolayers has been established. For example, for the (110) plane, a change in the atomic ordering in the third coordination sphere as a result of the introduction of a vacancy leads to noticeable changes in the TDOS curve, which indicates either a significant role of the atoms of the third coordination sphere or a significant redistribution of the interaction of d-orbitals of different symmetries of close neighbours. A correlation between the packing density, as well as the number of neighbours in the first coordination sphere, and the width of the energy band of gold monolayers has been established.

scholarly journals An Analytical Study on the Local Electronic Density of States of the Valence Bands in Amorphous Silicon Carbide

1998 ◽  
Vol 21 (3) ◽  
pp. 217-219 ◽  
Author(s):  
M. A. Grado-Caffaro ◽  
M. Grado-Caffaro
Keyword(s):  
Silicon Carbide ◽  
Amorphous Silicon ◽  
Valence Band ◽  
Density Of States ◽  
Analytical Study ◽  
Electronic Density ◽  
Amorphous Silicon Carbide ◽  
Electronic Density Of States ◽  
Valence Bands ◽  
Hybrid Orbitals

A formulation for the energy-averaged local valence band density of states of amorphous silicon carbide is derived. To this end,sp3-type hybrid orbitals are employed.

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