scholarly journals Scintillators: Quaternary Iodide K(Ca,Sr)I 3 :Eu 2+ Single‐Crystal Scintillators for Radiation Detection: Crystal Structure, Electronic Structure, and Optical and Scintillation Properties (Advanced Optical Materials 10/2016)

2016 ◽  
Vol 4 (10) ◽  
pp. 1420-1420 ◽  
Author(s):  
Yuntao Wu ◽  
Qi Li ◽  
Bryan C. Chakoumakos ◽  
Mariya Zhuravleva ◽  
Adam C. Lindsey ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Single Crystal ◽  
Optical Materials ◽  
Radiation Detection

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.

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.

scholarly journals Crystal structure, homogeneity range and electronic structure of rhombohedral γ-Mn5Al8

2017 ◽  
Vol 232 (7-9) ◽  
Author(s):  
Srinivasa Thimmaiah ◽  
Zachary Tener ◽  
Tej N. Lamichhane ◽  
Paul C. Canfield ◽  
Gordon J. Miller
Keyword(s):  
Crystal Structure ◽  
Phase Diagram ◽  
Electronic Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Homogeneity Range ◽  
X Ray Diffraction ◽  
X Ray ◽  
Eds Analysis

AbstractThe γ-region of the Mn–Al phase diagram between 45 and 70 at.% Al was re-investigated by a combination of powder and single crystal X-ray diffraction as well as EDS analysis to establish the distribution of Mn and Al atoms. Single crystals of γ-Mn

Band-gap tuning by solid-state intercalations of Mg, Ni, and Cu into Mo3Sb7

2003 ◽  
Vol 81 (11) ◽  
pp. 1157-1163 ◽  
Author(s):  
N Soheilnia ◽  
E Dashjav ◽  
H Kleinke
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Solid State ◽  
Single Crystal ◽  
Band Gap ◽  
Stoichiometric Ratio ◽  
Powder Form ◽  
Silica Tube ◽  
Space Group ◽  
Band Gap Tuning

Mo3Sb7 was synthesized by heating the elements in the stoichiometric ratio in a sealed silica tube at 700 °C. The title compounds AδMo3Sb7 (A = Mg, Ni, Cu) were prepared by annealing prereacted Mo3Sb7 with different amounts of A in powder form between 500 and 750 °C. According to our single-crystal structure studies, the A atoms can be intercalated in small amounts into the cubic voids of the Mo3Sb7 structure without noticeable symmetry changes (space group Im[Formula: see text]m). The different cations cause different band-gap decreases that depend on the element as well as its concentration.Key words: thermoelectrics, band-gap tuning, intercalation, antimonide, electronic structure.

Solid-state and Calculated Electronic Structure of 4-Acetylpyrazole

2014 ◽  
Vol 69 (7) ◽  
pp. 839-843 ◽  
Author(s):  
Guido D. Frey ◽  
Wolfgang W. Schoeller ◽  
Eberhardt Herdtweck
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Electronic Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Carbonyl Group ◽  
Monoclinic Space Group ◽  
X Ray ◽  
Ribbon Structure

The crystal structure of 1-(1H-pyrazol-4-yl)ethanone (commonly known as 4-acetylpyrazole; C5H6N2O) was determined from single-crystal X-ray data at 173 K: monoclinic, space group P21/n (no. 14), a = 3.865(1), b = 5.155(1), c = 26.105(8) Å, β = 91.13(1)°, V = 520.0(2) Å3 and Z = 4. The adjacent molecules assemble into a wave-like ribbon structure in the solid state, linked by strong intermolecular N-H...N hydrogen bonds between the pyrazole rings and a weak C-H...O=C hydrogen bond involving the carbonyl group. The ribbons are stacked in the solid state via weak π interactions between the pyrazole rings.

Neue Strukturverfeinerung und Eigenschaften von Cr3C2/Structure Refinement and Properties of Cr3C2

2003 ◽  
Vol 58 (9) ◽  
pp. 929-933 ◽  
Author(s):  
Jochen Glaser ◽  
Ruth Schmitt ◽  
H.-Jürgen Meyer
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Single Crystal ◽  
Structure Refinement ◽  
X Ray Diffraction ◽  
X Ray ◽  
Arc Melting ◽  
Metal Atoms ◽  
Extended Hückel Calculations ◽  
Trigonal Prismatic

Cr3C2 was obtained from arc-melting of pellets made of carbon and chromium. The structure of Cr3C2 was determined by single crystal X-ray diffraction (Pnma, Z = 4, a = 553.99(6), b = 283.27(4), c = 1149.4(1) pm, R1 = 0.019 and wR2 = 0.037 for all collected reflections). The crystal structure contains isolated carbon atoms which reside inside of trigonal prismatic voids of metal atoms. The compound exhibits temperature independent paramagnetism. The electronic structure of Cr3C2 has been investigated using extended Hückel calculations.

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