scholarly journals Электронная структура и оптические спектры соединений GdFeAl и GdFeSi

2021 ◽  
Vol 63 (6) ◽  
pp. 700
Author(s):  
Ю.В. Князев ◽  
А.В. Лукоянов ◽  
Ю.И. Кузьмин ◽  
А.Г. Кучин ◽  
С.П. Платонов
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Comparative Analysis ◽  
Optical Conductivity ◽  
Electronic States ◽  
Wavelength Interval ◽  
Correlation Effects ◽  
Calculated Density ◽  
Density Of Electronic States ◽  
Conductivity Spectra

Results of investigations of electronic structure and optical properties of GdFeAl and GdFeSi compounds are presented. Spin-plarized density of states and interband optical conductivity spectra were calculated in frame of DFT+U technique with a correction for strong correlation effects in 4f shell of Gd. Optical properties were measured by ellipsometric technique in wavelength interval of 0.22 – 16 μm. Nature of quantum light absorption is discussed on the base of comparative analysis of experimental and calculated spectra. It is shown that main features of frequency dependencies of the optical conductivity are interpret qualitatively by the calculated density of electronic states.

scholarly journals Электронная структура и оптические свойства соединения FeAl-=SUB=-2-=/SUB=-

2020 ◽  
Vol 62 (1) ◽  
pp. 85
Author(s):  
Ю.В. Князев ◽  
А.В. Лукоянов ◽  
Ю.И. Кузьмин
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Intermetallic Compound ◽  
Optical Conductivity ◽  
Magnetic Moments ◽  
Electronic States ◽  
Spectral Interval ◽  
Calculated Density ◽  
Density Of Electronic States ◽  
Spin Polarized

Electronic structure and optical properties of the FeAl2 intermetallic compound are investigated. Spin-polarized calculations of the electronic structure were carried out, magnetic moments of the atoms were determined. Optical properties of the compound were measured by ellipsometric technique in spectral interval 0.22 – 15 μm. It is shown that the experimental optical conductivity is satisfactory interpreted on the base of the calculated density of electronic states.

scholarly journals Оптические свойства соединений YFe-=SUB=-2-=/SUB=- и TbFe-=SUB=-2-=/SUB=-

2020 ◽  
Vol 62 (7) ◽  
pp. 1004
Author(s):  
Ю.В. Князев ◽  
Ю.И. Кузьмин
Keyword(s):  
Optical Properties ◽  
Spectral Characteristic ◽  
Wavelength Range ◽  
Optical Conductivity ◽  
Light Absorption ◽  
Electronic States ◽  
Electron Transitions ◽  
Quantum Electron ◽  
Interband Light Absorption ◽  
Conductivity Spectra

Ellipsometric investigation of the optical properties of YFe2 and TbFe2 intermetalic compounds have been carried out in wavelength range of 0.22 –15 μm. A number of electronic and spectral characteristic was determined. Nature of interband light absorption in these materials is discussed on base of comparative analyses of experimental and theoretical optical conductivity spectra. Experimental optical conductivities of the compounds are shown to conform qualitatively to spectra calculated from densities of electronic states in the region of quantum electron transitions.

Optical Properties and Electronic Structure of LaNi5-XCux (x=0–1.2) Intermetallic System

2010 ◽  
Vol 168-169 ◽  
pp. 529-532 ◽  
Author(s):  
Yu.V. Knyazev ◽  
Y.I. Kuz’min ◽  
A.V. Lukoyanov ◽  
Anatoly G. Kuchin
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Optical Conductivity ◽  
Theoretical Calculations ◽  
Generalized Gradient ◽  
Broad Absorption ◽  
Generalized Gradient Approximation ◽  
Electron Transitions ◽  
Intermetallic System ◽  
Conductivity Spectra

Optical properties of the LaNi5-xCux (x = 0, 0.6, 1, 1.2) compounds were studied. It was shown that substitution of copper for nickel led to noticeable changes in the optical conductivity spectra. Calculations of the electronic structure of compounds with x = 0, 1, 2 were performed using a generalized gradient approximation. The interband optical conductivity of these intermetallics was calculated. The optical ellipsometrical measurements and theoretical calculations testify to the appearance of a broad absorption structure associated with the Cu 3d  Ni 3d electron transitions and increasing with the growth of copper content.

Relation between oxygen stoichiometry and thermodynamic properties and the electronic structure of nonstoichiometric perovskite La0.6Sr0.4CoO3−δ

2016 ◽  
Vol 18 (42) ◽  
pp. 29543-29548 ◽  
Author(s):  
S. F. Bychkov ◽  
A. G. Sokolov ◽  
M. P. Popov ◽  
A. P. Nemudry
Keyword(s):  
Electronic Structure ◽  
Thermodynamic Properties ◽  
Fermi Level ◽  
Electronic States ◽  
Oxygen Activity ◽  
Oxygen Stoichiometry ◽  
Itinerant Electron ◽  
Electron Model ◽  
Density Of Electronic States

Within the framework of the itinerant electron model, the dependence of the oxide nonstoichiometry on the oxygen activity was related to the density of electronic states near the Fermi level.

Electronic structure of NixTiSe2 (0.05 ≤ x ≤ 0.46) compounds with ordered and disordered Ni

2017 ◽  
Vol 19 (6) ◽  
pp. 4500-4506 ◽  
Author(s):  
A. S. Shkvarin ◽  
Yu. M. Yarmoshenko ◽  
A. I. Merentsov ◽  
Yu. M. Zhukov ◽  
A. A. Titov ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectroscopy ◽  
Theoretical Calculations ◽  
Electronic States ◽  
Intercalation Compounds ◽  
X Ray ◽  
Density Of Electronic States ◽  
X Ray Absorption

The electronic structure of NixTiSe2 intercalation compounds with disordered and ordered Ni atoms is studied using photoelectron, resonant photoelectron and X-ray absorption spectroscopy, theoretical calculations of the X-ray spectra and density of electronic states.

Variation of electronic structure inLa1−xSrxMnO3f(0⩽x⩽0.3) as investigated by optical conductivity spectra

1997 ◽  
Vol 55 (7) ◽  
pp. 4206-4214 ◽  
Author(s):  
Y. Okimoto ◽  
T. Katsufuji ◽  
T. Ishikawa ◽  
T. Arima ◽  
Y. Tokura
Keyword(s):  
Electronic Structure ◽  
Optical Conductivity ◽  
Conductivity Spectra

scholarly journals Особенности спектров оптического поглощения интерметаллических соединений GdFe-=SUB=-2-=/SUB=- и LuFe-=SUB=-2-=/SUB=-

2019 ◽  
Vol 126 (4) ◽  
pp. 432
Author(s):  
Ю.В. Князев ◽  
Ю.И. Кузьмин
Keyword(s):  
Optical Properties ◽  
Spectral Range ◽  
Optical Conductivity ◽  
Electronic States ◽  
Light Quantum ◽  
Absorption Region ◽  
Ellipsometric Method

AbstractThe optical properties of binary GdFe_2 and LuFe_2 compounds are studied by the ellipsometric method in the 0.22–17 μm spectral range. A number of spectral and electronic characteristics are determined. The experimental dependences of optical conductivity in the light quantum absorption region are interpreted based on previously published calculations of electronic states densities.

Optical conductivity spectra and electronic structure of Bi2Sr2(Y1−xCax)Cu2Oy system

1999 ◽  
Vol 60 (1) ◽  
pp. 41-51 ◽  
Author(s):  
Takanori Itoh ◽  
Kazuo Fueki ◽  
Yasumoto Tanaka ◽  
Hideo lhara
Keyword(s):  
Electronic Structure ◽  
Optical Conductivity ◽  
Conductivity Spectra

scholarly journals First Principles Study on Electronic Structure and Optical Properties of PMMA Doped InSb–Mn Alloy Polymer Matrix Composite

2022 ◽  
Vol 2022 ◽  
pp. 1-6
Author(s):  
Dhanabalakrishnan Kovilpalayam Palaniswamy ◽  
Pandiyan Arumugan ◽  
Ravindiran Munusami ◽  
A Chinnasamy ◽  
S. Madhu ◽  
...  
Keyword(s):  
Thin Film ◽  
Optical Properties ◽  
Electronic Structure ◽  
Absorption Coefficient ◽  
Band Gap ◽  
Optical Conductivity ◽  
First Principles ◽  
Dft Method ◽  
Optical Absorption Coefficient ◽  
Group Iii

InSb the group III-V semiconductor with narrow band gap is combined with Mn in various concentrations and that InSb–Mn alloy is doped with poly methyl methacrylate (PMMA). The optical properties and electronic structure of ternary InSb–Mn alloy with PMMA are investigated by first principles calculations using the DFT method. Varying Mn concentrations play an important role in the improvement of the absorption coefficient and optical conductivity. It is observed that the band gap of InSb–Mn: PMMA decreases monotonously with the increase in Mn concentration. Optical properties of InSb–Mn: PMMA, such as the optical absorption coefficient and optical conductivity, are greater than those of pure InSb. InSb–Mn: PMMA alloy is doped with PMMA polymer in order to make a thin film as PMMA is a transparent thermoplastic polymer. These results suggest a promising application of InSb–Mn: PMMA thin film in optoelectronics when the InSb doping is 24% with improved conductivity when compared with other doping ratios. This states the optimum doping ratio and the major finding in the carried out research based on modelling and simulation.

scholarly journals Investigation of Electronic Structure of Zr1-xVxNiSn Semiconductive Solid Solution

2019 ◽  
Vol 20 (2) ◽  
pp. 127-132
Author(s):  
Yu.V. Stadnyk ◽  
V.V. Romaka ◽  
V.A. Romaka ◽  
A.M. Нoryn ◽  
L.P. Romaka ◽  
...  
Keyword(s):  
Solid Solution ◽  
Electronic Structure ◽  
Electrical Properties ◽  
Band Gap ◽  
Electronic States ◽  
Structural Defects ◽  
Simultaneous Generation ◽  
Density Of Electronic States ◽  
Donor And Acceptor ◽  
Donor Acceptor

The peculiarities of electronic and crystal structures of Zr1-xVxNiSn (x = 0 - 0.10) semiconductive solid solution were investigated. To predict Fermi level εF behavior, band gap εg and electrokinetic characteristics of Zr1-xVxNiSn, the distribution of density of electronic states (DOS) was calculated. The mechanism of simultaneous generation of structural defects of donor and acceptor nature was determined based on the results of calculations of electronic structure and measurement of electrical properties of Zr1-xVxNiSn semiconductive solid solution. It was established that in the band gap of Zr1-xVxNiSn the energy states of the impurity donor εD2 and acceptor εA1 levels (donor-acceptor pairs) appear, which determine the mechanisms of conduction of semiconductor.

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