Study on Composite Optics Properties of FeCl2·4H2O Crystal in Material Engineering

2012 ◽  
Vol 583 ◽  
pp. 187-190 ◽  
Author(s):  
Feng Miao ◽  
Yi Huang
Keyword(s):  
Absorption Spectra ◽  
Energy Levels ◽  
Optical Devices ◽  
Structure Parameters ◽  
Energy Matrix ◽  
Material Engineering ◽  
Allowed Transition ◽  
Forbidden Transition ◽  
The Relationship ◽  
Good Agreement

Crystal material has an important role in material engineering. FeCl2•4H2O crystal has broad prospects in composite which has been used in energy filed, water treatment field and chemstry industry. To investigate the relationship between properties and construction, absorption spectra has been researched.Considering the crystal structure parameters and average covalent factor N, the energy levels of Fe2+ in FeCl2•4H2O crystal are calculated by diagonalizing the energy matrix of d6. When the value of N is 0.9, the calculated results are in good agreement with the results of experiment. By investigating absorption spectra, the peaks at 5600 cm-1can be assigned as the splitting from1A1 to 5T2. The peak belongs to spin-forbidden transition. The peaks at 6300 cm-1 and 6600 cm-1 can be assigned as the splitting from 3T1 to 5T2 and 5E to 5T2 respectively, which belong to spin-forbidden transition and spin-allowed transition .The peak at 9100 cm-1can be assigned as the splitting from 3T2 to 5T2. The peak at 14800 cm-1 can be assigned as the splitting from 3T1 to 5T2. All results can be used for the production of optical devices.

Theoretical Investigation of Energy Levels Splitting of CsCdBr3:Pr3+ Crystal

2011 ◽  
Vol 418-420 ◽  
pp. 665-669
Author(s):  
Mei Ling Duan ◽  
Xiao Feng Yang ◽  
Jin Hong Li
Keyword(s):  
Crystal Field ◽  
Energy State ◽  
Energy Levels ◽  
Energy Matrix ◽  
Host Crystal ◽  
State Information ◽  
Experimental Values ◽  
Crystal Field Parameters ◽  
Complete Energy Matrix ◽  
Good Agreement

Based upon the single electron energy state information and the combination of Racah’s group-theoretical consideration with Slater’s wavefunctions, the 91×91 complete energy matrix of 4f2 configuration ion Pr3+ in C3v crystal field has been constructed. The calculated Stark energy levels of CsCdBr3:Pr3+ present a good agreement with the experimental values, which implies that the complete energy matrix method can be received as a recommendable tool to perform a theoretical analysis to the doped crystal. Besides, the influence of Pr3+ ions on the energy levels splitting of the host crystal CsCdBr3 has been compared with two doped trichlorides by Pr3+ ions, which indicates that the sixth order crystal field parameters play an indispensable role in splitting the energy levels.

scholarly journals Interpretation of the spectrum of Pb(II). Theoretical transition probabilities and lifetimes

2001 ◽  
Vol 79 (7) ◽  
pp. 999-1009 ◽  
Author(s):  
C Colón ◽  
A Alonso-Medina
Keyword(s):  
Transition Probabilities ◽  
Energy Levels ◽  
Radiative Transition ◽  
Least Square ◽  
Large Contribution ◽  
Hartree Fock ◽  
Forbidden Transition ◽  
Method Of Least Square ◽  
Experimental Values ◽  
Good Agreement

Radiative transition probabilities for 190 lines arising from the ns 2S1/2, np 2P1/2,3/2, nd 2D3/2,5/2, nf 2F5/2,7/2, and 6p2 (4P1/2,3/2,5/2, 2D3/2,5/2, 2P1/2,3/2, and 2S1/2) levels of Pb(II) have been calculated. Lifetimes of the above mentioned levels have been determined from the present transition probabilities. These values were obtained in intermediate coupling (IC) and using ab initio relativistic Hartree-Fock calculations. For the IC calculations, we use the standard method of least-square fitting of experimental energy levels by means of computer codes from Cowan. The results of calculations for radiative transition probabilities and excited states lifetimes are presented and compared with the experimental results present in the literature and with other theoretical values. There is generally good agreement between our values and the experimental data available. Analysis of the interaction shows that the level 4P5/2 of the 6s6p2 configuration presents a large contribution to the 2D5/2 level of the 6s26d configuration. This result explains the good agreement between our result and the experimental values obtained to the observed as the 6s6p2 4P5/2 – 6s 25f2F7/2 dipole-forbidden transition. PACS Nos.: 32.70^*, 32.70Fw, 32.70Cs

CALCULATION OF THE PHOTOLUMINESCENCE SPECTRA FOR Yb3+-DOPED CuInS2 CRYSTAL

2011 ◽  
Vol 25 (30) ◽  
pp. 2307-2312
Author(s):  
PING SU ◽  
WEN-CHEN ZHENG ◽  
HONG-GANG LIU
Keyword(s):  
Energy Levels ◽  
Field Energy ◽  
Mean Square ◽  
Photoluminescence Spectra ◽  
Energy Matrix ◽  
Host Crystal ◽  
Semiconductor Crystal ◽  
Experimental Values ◽  
Distortion Angle ◽  
Good Agreement

Six crystal field energy levels obtained from the photoluminescence spectra of Yb 3+-doped CuInS 2 semiconductor crystal are calculated from the diagonalization (of energy matrix) method. The root-mean-square (r.m.s) deviation σ is 4.5 cm-1 and so the calculated results are in good agreement with the experimental values. The local tetragonal distortion angle θ for the Yb 3+ center in CuInS 2 (which is different from the corresponding angle θh in the host crystal) is obtained from the calculation.

Energy-Level Splitting of Cs2NaYCl6 Crystal Doped with Praeseodymium

2013 ◽  
Vol 634-638 ◽  
pp. 11-14
Author(s):  
Mei Ling Duan ◽  
Jin Hong Li ◽  
Xiao Feng Yang
Keyword(s):  
Theoretical Analysis ◽  
Energy Level ◽  
Theoretical Consideration ◽  
Matrix Method ◽  
Energy Levels ◽  
Energy Matrix ◽  
Cubic Crystal ◽  
Experimental Values ◽  
Complete Energy Matrix ◽  
Good Agreement

The 91×91 complete energy matrix of 4f2 configuration ion praeseodymium in octahedral cubic crystal field has been constructed based upon the combination of Racah’s group-theoretical consideration with Slater’s wavefunctions. The energy levels of praseodymium (Pr3+) in hexachloride elpasolite crystals Cs2NaYCl6 have been calculated. The calculated results display a good agreement with the experimental values, which implies that the complete energy matrix method can be received as a recommendable tool to perform a theoretical analysis to the doped crystal.

An Investigation of Absorption Spectra of Li2GeO3: Cr3+ Crystal

2012 ◽  
Vol 560-561 ◽  
pp. 906-908
Author(s):  
Feng Miao ◽  
Ying Huang
Keyword(s):  
Experimental Data ◽  
Crystal Field ◽  
Absorption Spectra ◽  
Energy Levels ◽  
Crystal Field Parameter ◽  
Field Parameter ◽  
Energy Matrix

Considering the crystal field parameter B, C and average covalent factor N, the energy levels of Li2GeO3: Cr3+ crystal are calculated by diagonalizing the energy matrix of 3d3. The experimental data are compared with calculated results. The results show that the calculated results are in agreement with experiments. Absorb spectra are successfully identified.

Energy Levels and Electromagnetic Transition of 90-94mo Nuclei Using Ibm-1

2020 ◽  
pp. 149-152
Keyword(s):  
Experimental Data ◽  
Transition Probability ◽  
Energy Levels ◽  
Dynamical Symmetry ◽  
Interacting Boson Model ◽  
Excitation Energies ◽  
Electromagnetic Transition ◽  
Boson Model ◽  
Energy States ◽  
Good Agreement

The energy states for the J , b , ɤ bands and electromagnetic transitions B (E2) values for even – even molybdenum 90 – 94 Mo nuclei are calculated in the present work of "the interacting boson model (IBM-1)" . The parameters of the equation of IBM-1 Hamiltonian are determined which yield the best excellent suit the experimental energy states . The positive parity of energy states are obtained by using IBS1. for program for even 90 – 94 Mo isotopes with bosons number 5 , 4 and 5 respectively. The" reduced transition probability B(E2)" of these neuclei are calculated and compared with the experimental data . The ratio of the excitation energies of the 41+ to 21+ states ( R4/2) are also calculated . The calculated and experimental (R4/2) values showed that the 90 – 94 Mo nuclei have the vibrational dynamical symmetry U(5). Good agreement was found from comparison between the calculated energy states and electric quadruple probabilities B(E2) transition of the 90–94Mo isotopes with the experimental data .

scholarly journals Experimental studies on the transformation from firn to ice in the wet-snow zone of temperate glaciers

1997 ◽  
Vol 24 ◽  
pp. 181-185 ◽  
Author(s):  
Katsuhisa Kawashima ◽  
Tomomi Yamada
Keyword(s):  
Experimental Studies ◽  
Ice Formation ◽  
Compression Tests ◽  
Densification Rate ◽  
Overburden Pressure ◽  
Proportionality Constant ◽  
Wet Snow ◽  
Water Saturated ◽  
The Relationship ◽  
Good Agreement

The densification of water-saturated firn, which had formed just above the firn-ice transition in the wet-snow zone of temperate glaciers, was investigated by compression tests under pressures ranging from 0.036 to 0.173 MPa, with special reference to the relationship between densification rate, time and pressure. At each test, the logarithm of the densification rate was proportional to the logarithm of the time, and its proportionality constant increased exponentially with increasing pressure. The time necessary for ice formation in the firn aquifer was calculated using the empirical formula obtained from the tests. Consequently, the necessary time decreased exponentially as the pressure increased, which shows that the transformation from firn in ice can be completed within the period when the firn aquifer exists, if the overburden pressure acting on the water-saturated firn is above 0.12–0.14 MPa. This critical value of pressure was in good agreement with the overburden pressure obtained from depth–density curves of temperate glaciers. It was concluded that the depth of firn–ice transition was self-balanced by the overburden pressure to result in the concentration between 20 and 30 m.

scholarly journals Full-dimensional quantum stereodynamics of the non-adiabatic quenching of OH(A2Σ+) by H2

2021 ◽  
Author(s):  
Bin Zhao ◽  
Shanyu Han ◽  
Christopher L. Malbon ◽  
Uwe Manthe ◽  
David. R. Yarkony ◽  
...  
Keyword(s):  
Quantum Dynamics ◽  
Previous Analysis ◽  
Branching Ratio ◽  
Energy Matrix ◽  
Elastic Channel ◽  
Electronically Excited ◽  
Oppenheimer Approximation ◽  
Electronic Motion ◽  
Adiabatic Dynamics ◽  
Good Agreement

AbstractThe Born–Oppenheimer approximation, assuming separable nuclear and electronic motion, is widely adopted for characterizing chemical reactions in a single electronic state. However, the breakdown of the Born–Oppenheimer approximation is omnipresent in chemistry, and a detailed understanding of the non-adiabatic dynamics is still incomplete. Here we investigate the non-adiabatic quenching of electronically excited OH(A2Σ+) molecules by H2 molecules using full-dimensional quantum dynamics calculations for zero total nuclear angular momentum using a high-quality diabatic-potential-energy matrix. Good agreement with experimental observations is found for the OH(X2Π) ro-vibrational distribution, and the non-adiabatic dynamics are shown to be controlled by stereodynamics, namely the relative orientation of the two reactants. The uncovering of a major (in)elastic channel, neglected in a previous analysis but confirmed by a recent experiment, resolves a long-standing experiment–theory disagreement concerning the branching ratio of the two electronic quenching channels.

scholarly journals Energy-Constrained Design of Joint NOMA-Diversity Schemes with Imperfect Interference Cancellation

Sensors ◽  
2021 ◽  
Vol 21 (12) ◽  
pp. 4194
Author(s):  
Fulvio Babich ◽  
Giulia Buttazzoni ◽  
Francesca Vatta ◽  
Massimiliano Comisso
Keyword(s):  
Interference Cancellation ◽  
Energy Levels ◽  
Random Access ◽  
Actual Performance ◽  
Available Energy ◽  
Fifth Generation ◽  
Code Modulation ◽  
Energy Constrained ◽  
The Relationship ◽  
The Internet Of Things

This study proposes a set of novel random access protocols combining Packet Repetition (PR) schemes, such as Contention Resolution Diversity Slotted Aloha (CRDSA) and Irregular Repetition SA (IRSA), with Non Orthogonal Multiple Access (NOMA). Differently from previous NOMA/CRDSA and NOMA/IRSA proposals, this work analytically derives the energy levels considering two realistic elements: the residual interference due to imperfect Interference Cancellation (IC), and the presence of requirements on the power spent for the transmission. More precisely, the energy-limited scenario is based on the relationship between the average available energy and the selected code modulation pair, thus being of specific interest for the implementation of the Internet of Things (IoT) technology in forthcoming fifth-generation (5G) systems. Moreover, a theoretical model based on the density evolution method is developed and numerically validated by extensive simulations to evaluate the limiting throughput and to explore the actual performance of different NOMA/PR schemes in energy-constrained scenarios.

Systematic calculations of energy levels and transitions rates in Mo XXVIII

2020 ◽  
Vol 75 (8) ◽  
pp. 739-747
Author(s):  
Feng Hu ◽  
Yan Sun ◽  
Maofei Mei
Keyword(s):  
Energy Levels ◽  
Oscillator Strengths ◽  
Atomic Data ◽  
Data Sets ◽  
Electron Systems ◽  
Excitation Energies ◽  
Experimental Values ◽  
Qed Effects ◽  
Hyperfine Structures ◽  
Good Agreement

AbstractComplete and consistent atomic data, including excitation energies, lifetimes, wavelengths, hyperfine structures, Landé gJ-factors and E1, E2, M1, and M2 line strengths, oscillator strengths, transitions rates are reported for the low-lying 41 levels of Mo XXVIII, belonging to the n = 3 states (1s22s22p6)3s23p3, 3s3p4, and 3s23p23d. High-accuracy calculations have been performed as benchmarks in the request for accurate treatments of relativity, electron correlation, and quantum electrodynamic (QED) effects in multi-valence-electron systems. Comparisons are made between the present two data sets, as well as with the experimental results and the experimentally compiled energy values of the National Institute for Standards and Technology wherever available. The calculated values including core-valence correction are found to be in a good agreement with other theoretical and experimental values. The present results are accurate enough for identification and deblending of emission lines involving the n = 3 levels, and are also useful for modeling and diagnosing plasmas.

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