Interface Effects on the Raman Spectra of Si/3C-SiC Superlattices

2000 ◽  
Vol 640 ◽  
Author(s):  
E. F. Bezerra ◽  
A. G. Souza Filho ◽  
J. Mendes Filho ◽  
V. Lemos ◽  
V. N. Freire ◽  
...  

ABSTRACTTheoretical calculations are performed on the role of smooth interfaces in the Raman spectra of Si/3C-SiC superlattices. The dispersion relations were obtained using a linear chain model with the alloyed interface δ-(3C-SiC)0.5(Si)0.5 described in the virtual crystal approximation. A modified bond-polarizability model was used to calculate the Raman spectra. The main results are the enhancement of the Raman spectra and the appearance of new peaks in between those related to the Si quasi confined and the 3C-SiC-confined modes with increasing number δ?of interfacial monolayers (3C-SiC)0.5(Si)0.5. Some of the smooth interface related Raman peaks have intensity comparable with those of an abrupt Si/3C-SiC superlattice.

1990 ◽  
Vol 68 (1) ◽  
pp. 14-22 ◽  
Author(s):  
H. A. Rafizadeh

Expressions for the inner and bare components of the elastic constants of crystalline solids are derived. The inner elastic constants are complex functions of the force constants and vanish only for centrosymmetric solids. Using a linear-chain model, the force-constant dependence of inner, bare, and total elastic constants is studied. The linear-chain model is also utilized in derivation of composition-dependent elastic constant equations. Single-parameter and two-parameter theoretical calculations are compared with the experimental composition-dependent Young's moduli of a number of metal–metalloid glasses.


2008 ◽  
Vol 8 (2) ◽  
pp. 768-774
Author(s):  
M. Baleva ◽  
A. Atanassov ◽  
M. Marinova ◽  
G. Zlateva ◽  
N. Todorov

Samples, representing Si matrix with nanoformations of the semiconducting silicides β-FeSi2 and Mg2Si are studied by Raman scattering. The unpolarized Raman spectra of the samples are interpreted in the frameworkof the appearance of interface-phonon polaritons. The theoretical dispersion relations of the interface-phonon polaritons in the system Si/silicide/Si are obtained from the Maxwell equations. The correspondence of the theoretical calculations and the experimental observations appeared to be sufficiently good. An evolution of the features in the Raman spectra on the experimental conditions is observed.


2000 ◽  
Vol 660 ◽  
Author(s):  
J. Casado ◽  
H. E. Katz ◽  
V. Hernández ◽  
J.T. López Navarrete

ABSTRACTIn this paper, the vibrational FT-Raman spectra obtained at different anodic potentials chosen in the oxidation and reduction branches of the voltamperometric waves of two α,α'-sexithiophenes end capped with n-hexyl and n-thiohexyl groups are investigated. In order to analyze the evolution of the atomic charges and bonth lengths on going from the neutral to the doped species some theoretical calculations have been carried out.


Nanomaterials ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 2021
Author(s):  
Elena F. Sheka ◽  
Yevgeny A. Golubev ◽  
Nadezhda A. Popova

The standard D-G-2D pattern of Raman spectra of sp2 amorphous carbons is considered from the viewpoint of graphene domains presenting their basic structure units (BSUs) in terms of molecular spectroscopy. The molecular approximation allows connecting the characteristic D-G doublet spectra image of one-phonon spectra with a considerable dispersion of the C=C bond lengths within graphene domains, governed by size, heteroatom necklace of BSUs as well as BSUs packing. The interpretation of 2D two-phonon spectra reveals a particular role of electrical anharmonicity in the spectra formation and attributes this effect to a high degree of the electron density delocalization in graphene domains. A size-stimulated transition from molecular to quasi-particle phonon consideration of Raman spectra was experimentally traced, which allowed evaluation of a free path of optical phonons in graphene crystal.


1970 ◽  
Vol 48 (14) ◽  
pp. 1664-1674 ◽  
Author(s):  
D. W. Lepard

This paper presents a method for calculating the relative intensities and Raman shifts of the rotational structure in electronic Raman spectra of diatomic molecules. The method is exact in the sense that the wave functions used for the calculations may belong to any intermediate case of Hund's coupling schemes. Using this method, theoretical calculations of the pure rotational and electronic Raman spectrum of NO, and the pure rotational Raman spectrum of O2, are presented. Although a calculated stick spectrum for NO was previously shown by Fast et al., the details of this calculation are given here for the first time.


2019 ◽  
Vol 141 (51) ◽  
pp. 20318-20324 ◽  
Author(s):  
Tongkun Wang ◽  
Song Luo ◽  
Geoffrey A. Tompsett ◽  
Michael T. Timko ◽  
Wei Fan ◽  
...  
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