scholarly journals Энергетический спектр и оптическое поглощение углеродных наносистем на примере изомеров N 11 и 22 фуллерена С-=SUB=-84-=/SUB=-

2020 ◽  
Vol 62 (3) ◽  
pp. 484
Author(s):  
А.И. Мурзашев

Abstract The energy spectra of isomers nos. 11 and 22 of C_84 fullerene is obtained with allowance for the intrasite Coulomb interaction. Based on the obtained spectra, the optical absorption spectra of these systems are simulated. The obtained optical absorption spectra qualitatively agree well with the available experimental data. In addition, the optical absorption spectra are also calculated on the base of the energy spectra of each of the systems calculated without considering the intrasite Coulomb interaction. The comparison of the results obtained in these different models strongly demonstrates the most important role of the Coulomb interaction in the formation of the electronic and optical properties of these systems.


2021 ◽  
Vol 129 (9) ◽  
pp. 1111
Author(s):  
А.И. Мурзашев ◽  
А.П. Жуманазаров ◽  
М.Ю. Кокурин

The article simulates the optical absorption spectra (OAS) of endohedral complexes Er2C2 @ C90 based on isomers No. 44 (C2) No. 21 (C1) of fullerene C90. For this purpose, the energy spectra of the indicated isomers have been calculated. The calculation was carried out within the framework of two models. Within the framework of the first model, which is traditional, only hops of π-electrons from site to site were taken into account (the integral of hopping to the nearest sites B ~ -2.6 eV). Within the framework of the second model, developed in a series of our works [1-5], in addition to hopping from site to site (the integral of hopping to the nearest sites B ~ -1.0 eV), the intrasite Coulomb interaction (ICCI) of π-electrons was also taken into account (the integral of the Coulomb interaction U ~ 7.0 eV). Comparison of the OSS curves obtained by us with the experimental data [5] convincingly indicates that the second model adequately describes the OSS of the endohedral Er2C2 @ C90 complexes based on the investigated isomers. The magnitude of charge transfer from the Er2C2 system to the fullerene shell turned out to be -4e.



2017 ◽  
Vol 19 (16) ◽  
pp. 10644-10650 ◽  
Author(s):  
Huabing Shu ◽  
Yilong Tong ◽  
Jiyuan Guo

The variable band-gap of the Si/As heterostructure (left) and optical absorption spectra for AA-stacking under a vertical electric field (right).



Nanoscale ◽  
2018 ◽  
Vol 10 (44) ◽  
pp. 20821-20827 ◽  
Author(s):  
Chongqi Yu ◽  
Romain Schira ◽  
Harald Brune ◽  
Bernd von Issendorff ◽  
Franck Rabilloud ◽  
...  

We present optical absorption spectra from the ultraviolet to the visible for size selected neutral Agn clusters (n = 5–120) embedded in solid Ne.



2016 ◽  
Vol 675-676 ◽  
pp. 322-326
Author(s):  
Narong Sangwaranatee ◽  
Jakrapong Kaewkhao ◽  
Yotsakit Ruangtaweep

In this work, effect of Li2O and Na2O on bismuth borate glasses have been investigated. The glass samples were prepared in composition 44B2O3 : 50Bi2O3 : 5Li2O : 1A2O3 and 44B2O3 : 50Bi2O3 : 5Na2O3 : 1A2O3 (where A2O3= Sm2O3 and Dy2O3).Glasses were prepared using the melt-quenching technique at 1,100 oc under normal atmosphere. The result found that, the density and molar volume of lithium bismuth borate glasses are less than sodium bismuth borate glasses both in Sm2O3 and Dy2O3. In addition, the optical absorption spectra and luminescence of lithium bismuth borate glasses are higher than sodium bismuth borate glasses both in Sm2O3 and Dy2O3.



2017 ◽  
Vol 31 (13) ◽  
pp. 1750101 ◽  
Author(s):  
Ibrahim Bulus ◽  
S. A. Dalhatu ◽  
R. Hussin ◽  
W. N. Wan Shamsuri ◽  
Y. A. Yamusa

Achieving outstanding physical and optical properties of borosulfophosphate glasses via controlled doping of rare earth ions is the key issue in the fabrication of new and highly-efficient glass material for diverse optical applications. Thus, the effect of replacing P2O5 by Dy2O3 on the physical and optical properties of Dy[Formula: see text]-doped lithium-borosulfophosphate glasses with chemical composition of 15Li2O–30B2O3–15SO3–[Formula: see text]P2O5–[Formula: see text]Dy2O3 (where 0.0 mol.% [Formula: see text] mol.%) has been investigated. The glass samples were synthesized from high-purity raw materials via convectional melt-quenching technique and characterized by X-ray diffraction (XRD), energy-dispersive X-ray spectrometry (EDX), density and UV–vis–NIR absorption measurements. The amorphous nature of the prepared glass samples was confirmed by XRD patterns whereas the EDX spectrum depicts elemental traces of O, C, B, S, P and Dy. The physical parameters such as density, refractive index, molar volume, polaron radius and field strength were found to vary nonlinearly with increasing Dy2O3 concentration. UV–vis–NIR absorption spectra revealed seven absorption bands with most dominant peak at 1269 nm (6H[Formula: see text]F[Formula: see text]H[Formula: see text]). From the optical absorption spectra, the optical bandgap and Urbach’s energy have been determined and are related with the structural changes occurring in these glasses with increase in Dy2O3 content. Meanwhile, the bonding parameters ([Formula: see text]) evaluated from the optical absorption spectra were found to be ionic in nature. The superior features exhibited by the current glasses nominate them as potential candidate for nonlinear optical applications.



1998 ◽  
Vol 53 (8) ◽  
pp. 927-932 ◽  
Author(s):  
G. A. Mousdis ◽  
G. C. Papavassiliou ◽  
A. Terzis ◽  
C. P. Raptopoulou

Abstract The preparation, crystal structures and optical absorption spectra of [H3N(CH2)6NH3]BiX5 (X= I, Cl) and [H3N(CH2)6NH3]SbX5 (X =I, Br) are reported. The anions of the compounds consist of MX6-octahedra (M =Bi, Sb) sharing cisvertices in one-dimensional zig-zag chains. Because of their one-dimensional character, a blue shift of the excitonic absorption bands, in com parison to those of higher dim ensionality systems (MX3), is observed.



2014 ◽  
Vol 979 ◽  
pp. 135-138 ◽  
Author(s):  
Yotsakit Ruangtaweep ◽  
Jakrapong Kaewkhao

In this work, the physical and optical properties of soda-lime-borate glasses doped with V2O5 concentration of 0.0 to 2.5 in mol% have been investigated. The glass samples were prepared by the normal melt-quench technique. The results show that the density and refractive index decreased with additional 0.5 mol% content of V2O5. Then both results increased with increasing V2O5 content from 1.0-2.5 mol%. The optical absorption spectra of glass samples were measured by UV-visible spectrophotometer in the wavelength range 300-1100 nm and color coordinate in CIEL*a*b* system. The absorption peaks locate around 605 and 960 nm for all V2O5 concentration that are associated to V4+ ions and produce the brown color.



2015 ◽  
Vol 17 (24) ◽  
pp. 15921-15927 ◽  
Author(s):  
Yi-Ping Lin ◽  
Chiun-Yan Lin ◽  
Yen-Hung Ho ◽  
Thi-Nga Do ◽  
Ming-Fa Lin

The generalized tight-binding model is developed to investigate the magneto-optical absorption spectra of ABC-stacked trilayer graphene.



2018 ◽  
Vol 6 (1) ◽  
pp. 83-90 ◽  
Author(s):  
Huabing Shu ◽  
Yunhai Li ◽  
Xianghong Niu ◽  
JiYuan Guo

The optical absorption spectra of hexagonal arsenene (β-As) and antimonene (β-Sb).



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