MSXα calculation of the electronic structure of Cu+ and Ag+ ions in lithium chloride single crystal

1986 ◽  
Vol 85 (5) ◽  
pp. 2784-2790 ◽  
Author(s):  
B. Moine ◽  
H. Chermette ◽  
C. Pedrini
Keyword(s):  
Electronic Structure ◽  
Single Crystal ◽  
Lithium Chloride

Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl

CrystEngComm ◽  
2014 ◽  
Vol 16 (33) ◽  
pp. 7621-7625 ◽  
Author(s):  
Cody J. Gleason ◽  
Jordan M. Cox ◽  
Ian M. Walton ◽  
Jason B. Benedict
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Electronic Material ◽  
Single Crystal ◽  
Charge Transport ◽  
Luminescent Properties ◽  
Electronic Structure Calculations ◽  
Electronic Charge ◽  
Single Crystal Structures ◽  
Structure Calculations

Single crystal structures, luminescent properties and electronic structure calculations of three polymorphs of the opto-electronic charge transport material 4,4′-bis(9-carbazolyl)biphenyl.

Electronic structure of PbSc1/2Nb1/2O3 single-crystal ferroelectric-relaxor in the paraelectric and ferroelectric state

2017 ◽  
Vol 666 ◽  
pp. 1-8 ◽  
Author(s):  
A.T. Kozakov ◽  
O.E. Polozhentsev ◽  
I.P. Raevski ◽  
N. Kumar ◽  
S.I. Raevskaya ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Single Crystal ◽  
Ferroelectric State ◽  
Ferroelectric Relaxor

scholarly journals Chemical Bonding and the Sulfur K X-Ray Spectrum

1965 ◽  
Vol 9 ◽  
pp. 354-364 ◽  
Author(s):  
D. W. Wilbur ◽  
J. W. Gofman
Keyword(s):  
Electronic Structure ◽  
Single Crystal ◽  
Organic Compounds ◽  
Sulfur Atom ◽  
Chemical Bonding ◽  
Proportional Counter ◽  
Pulse Height ◽  
X Ray ◽  
Pulse Height Analysis ◽  
Chemical States

AbstractAn investigation has been made of the relative Kβ intensities in different chemical states of the sulfur atom using the Kα lines, with appropriate corrections, to provide the intensity standards. Both inorganic and organic compounds were included in the study. The data for each compound appear to be reliable to about ± 0.5%, while the whole series of compounds shows a variation greater than 20% in the corrected Kβ/Kα ratios. Energies were also measured, particularly the Kα energies, and their shifts were studied relative to the Kβ, intensity shifts. The work was done with a plane, single-crystal, helium-path spectrometer with proportional counter and pulse-height analysis for detection. The results are indicative of the usefulness of the method both in clarifying an uncertain chemical state and in studying the electronic structure of the bonded atom.

Materials with Dirac Loops: A Potential Solution for Next-generation Electronics

2021 ◽  
Vol 1 ◽  
Keyword(s):  
Electronic Structure ◽  
Single Crystal ◽  
Potential Solution ◽  
Next Generation ◽  
Rhenium Oxide ◽  
High Quality ◽  
High Quality Single Crystal

A high-quality single crystal of rhenium oxide shows significantly large magnetoresistance, potentially originating from a unique electronic structure called “hourglass Dirac chain” protected by the symmetry of the crystal.

Single crystal growth and the electronic structure of orthorhombic Tl3PbBr5: A novel material for non-linear optics

2013 ◽  
Vol 35 (5) ◽  
pp. 1081-1089 ◽  
Author(s):  
O.Y. Khyzhun ◽  
V.L. Bekenev ◽  
O.V. Parasyuk ◽  
S.P. Danylchuk ◽  
N.M. Denysyuk ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Crystal Growth ◽  
Single Crystal ◽  
Single Crystal Growth ◽  
Linear Optics ◽  
Non Linear Optics ◽  
Non Linear ◽  
Novel Material

Disordered misfit [Ca2CoO3][CoO2]1.62 structure revisited via a new intrinsic modulation

2008 ◽  
Vol 64 (2) ◽  
pp. 144-153 ◽  
Author(s):  
Hervé Muguerra ◽  
Dominique Grebille ◽  
Françoise Bourée
Keyword(s):  
Electronic Structure ◽  
Single Crystal ◽  
Diffraction Experiment ◽  
X Ray Diffraction ◽  
Neutron Diffraction Experiment ◽  
X Ray ◽  
Structural Modifications ◽  
Local Ordering ◽  
Powder Neutron Diffraction ◽  
Modulation Vector

The structure of the thermoelectric lamellar misfit cobalt oxide [Ca2CoO3][CoO2]1.62 was refined again using single-crystal X-ray diffraction data. A new commensurate intrinsic modulation was observed involving a modulation vector orthogonal to the misfit direction (⅔,0,−⅓). The five-dimensional superspace group is C2/m(1δ0)(α0γ)gm and the structure was solved using a commensurate approximation. A new model is given involving an occupation modulation of the split sites of the [CoO] layer. This [CoO] layer can be described by triple chains running along b. The residual disorder along b can then be explained by the assumption of a local ordering with two types of clusters: CoO2 and Co5O4. A powder neutron diffraction experiment confirmed the ordering evidenced by the single-crystal X-ray diffraction study, but was not sufficient by itself to deal with this double modulated scheme. The new intrinsic modulation is destroyed by partial metal substitutions in the [CoO] layer. The structural modifications of this layer directly influence the physical properties which are related to the electronic structure of the [CoO2] layers.

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