scholarly journals Systematic investigation of the magneto-electronic structure and optical properties of new halide double perovskites Cs2NaMCl6 (M = Mn, Co and Ni) by spin polarized calculations

RSC Advances ◽  
2020 ◽  
Vol 10 (44) ◽  
pp. 26277-26287 ◽  
Author(s):  
Shabir Ahmad Mir ◽  
Dinesh C. Gupta
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Crystal Field ◽  
Systematic Investigation ◽  
Double Perovskites ◽  
Half Metallicity ◽  
Spin Polarized ◽  
Unpaired Electrons ◽  
D Orbitals

The unpaired electrons in the crystal field splitted d-orbitals of the M-site constituents are responsible for the half metallicity and magnetic character of the halide double perovskites.

Electronic Structure of Octacyanides of Molybdenum IV and V According to the SCCC MO Method. The D2d Case

1972 ◽  
Vol 27 (11) ◽  
pp. 1672-1677 ◽  
Author(s):  
A. Gołębiewski ◽  
R. Nalewajski
Keyword(s):  
Field Theory ◽  
Electronic Structure ◽  
Crystal Field ◽  
Central Atom ◽  
Molecular Orbitals ◽  
Crystal Field Theory ◽  
D Orbitals

Abstract The electronic structure of dodecahedral octacyanides of molybdenum IV and V is described in terms of SCCC molecular orbitals. Five MO's resemble d orbitals of the central atom. The splitting of appropriate levels is almost exactly the same as that following from the crystal field theory for G4/G2 ~ 0.7. According to the theory stable Mo(CN)84- is dodecahedral and stable MO(CN)83- is antiprismatic. In the dodecahedron the A-type ligands are bonded more strongly than the B-type ligands.

Effects of octahedral tilting on the electronic structure and optical properties of d0 double perovskites A2ScSbO6 (A=Sr,Ca)

2017 ◽  
Vol 705 ◽  
pp. 497-506 ◽  
Author(s):  
Rajyavardhan Ray ◽  
A.K. Himanshu ◽  
Pintu Sen ◽  
Uday Kumar ◽  
Manuel Richter ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Double Perovskites ◽  
Octahedral Tilting

Electronic structure and optical properties of Ag-doped SnO2 nanoribbons

RSC Advances ◽  
2014 ◽  
Vol 4 (79) ◽  
pp. 41819-41824 ◽  
Author(s):  
Bao-Jun Huang ◽  
Feng Li ◽  
Chang-Wen Zhang ◽  
Ping Li ◽  
Pei-Ji Wang
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Total Energy ◽  
Tin Dioxide ◽  
Energy Calculation ◽  
First Principle ◽  
Electronic And Optical Properties ◽  
Total Energy Calculation ◽  
Spin Polarized

Structural, electronic and optical properties have been calculated for Tin dioxide nanoribbons (SnO2 NRs) with both zigzag and armchair shaped edges by first principle spin polarized total energy calculation.

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.

Revealing the spin-polarized optical properties of monoclinic α-Eu2(MoO4)3: a DFT + U approach

RSC Advances ◽  
2016 ◽  
Vol 6 (57) ◽  
pp. 51675-51682 ◽  
Author(s):  
A. H. Reshak
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Order Linear ◽  
Optical Dispersion ◽  
First Order ◽  
Spin Polarized ◽  
Linear Optical

The spin polarized complex first-order linear optical dispersion reveals the spin-polarized electronic structure of α-Eu2(MoO4)3.

Optical Properties of HVEM Accelerators

1975 ◽  
Vol 33 ◽  
pp. 180-181
Author(s):  
A. Strojnik ◽  
J.W. Scholl ◽  
V. Bevc
Keyword(s):  
Optical Properties ◽  
Electron Accelerator ◽  
Systematic Investigation ◽  
Electron Source ◽  
High Brightness ◽  
The Past ◽  
Wide Range ◽  
Optical Behavior

The electron accelerator, as inserted between the electron source (injector) and the imaging column of the HVEM, is usually a strong lens and should be optimized in order to ensure high brightness over a wide range of accelerating voltages and illuminating conditions. This is especially true in the case of the STEM where the brightness directly determines the highest resolution attainable. In the past, the optical behavior of accelerators was usually determined for a particular configuration. During the development of the accelerator for the Arizona 1 MEV STEM, systematic investigation was made of the major optical properties for a variety of electrode configurations, number of stages N, accelerating voltages, 1 and 10 MEV, and a range of injection voltages ϕ0 = 1, 3, 10, 30, 100, 300 kV).

Structural/Property Relationships for Optical Materials

1993 ◽  
Vol 329 ◽  
Author(s):  
Vivien D.
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Electronic Structure ◽  
Chemical Composition ◽  
Field Strength ◽  
Optical Materials ◽  
Site Occupancy ◽  
Laser Materials ◽  
Crystal Field Strength ◽  
The Matrix

AbstractIn this paper the relationships between the crystal structure, chemical composition and electronic structure of laser materials, and their optical properties are discussed. A brief description is given of the different laser activators and of the influence of the matrix on laser characteristics in terms of crystal field strength, symmetry, covalency and phonon frequencies. The last part of the paper lays emphasis on the means to optimize the matrix-activator properties such as control of the oxidation state and site occupancy of the activator and influence of its concentration.

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