Electric-dipole absorption and the scattering of x-rays: analytic results for a ion in an octahedral crystal field

1997 ◽  
Vol 9 (41) ◽  
pp. 8679-8692 ◽  
Author(s):  
Stephen W Lovesey ◽  
Ewald Balcar
Keyword(s):  
Crystal Field ◽  
Electric Dipole ◽  
X Rays ◽  
Octahedral Crystal Field

Spektroskopische Untersuchungen in der Festkörperchemie, XII* Re-NQR-und 1H-Breitlinien-NMR -Studien an Rhenium(YII)- Sauerstoffverbindungen / Spectroscopic Investigations in Solid State Chemistry, XII* Re NQR and 1H Wideline NMR Studies on Rhenium(VII) Oxygen Compounds

1978 ◽  
Vol 33 (8) ◽  
pp. 896-898 ◽  
Author(s):  
Paul K. Burkert ◽  
Frank M. Hutter
Keyword(s):  
Solid State ◽  
Crystal Field ◽  
Coupling Constants ◽  
Solid State Chemistry ◽  
Nmr Studies ◽  
Electrical Field ◽  
Spectroscopic Investigations ◽  
Octahedral Environment ◽  
Octahedral Crystal Field

The first Re NQR spectra of rhenium oxygen compounds with rhenium atoms in the pseudo-octahedral environment of Re2O7(H2O)2 and Re2O7(H2O)2 · 2(1,4)-dioxane were found. The values of the Re NQR coupling constants of these rhenium atoms are the highest measured until now. They show, that the gradient of the electrical field is much more sensitive to distortions of an octahedral crystal field than to distortions of a tetrahedral field.

Fabrication and Optical Properties of Cr3+:YSAG Transparent Ceramics

2010 ◽  
Vol 434-435 ◽  
pp. 664-667 ◽  
Author(s):  
Tao Feng ◽  
Dan Yu Jiang ◽  
Jian Lin Shi
Keyword(s):  
Optical Properties ◽  
Crystal Field ◽  
Powder Compact ◽  
Combustion Method ◽  
Crystal Field Parameter ◽  
Emission Peak ◽  
Absorption Peak ◽  
Cubic Phase ◽  
Transparent Ceramics ◽  
Octahedral Crystal Field

Cr-doped Y3ScxAl(5-x)O12(Nd:YSAG) powder have been prepared with a combustion method. The powders are nanosized and a pure cubic phase when calcined at 900°C. Transparent Cr:YSAG ceramics were successfully fabricated by sintering the powder compact at 1800°C under H2 atmosphere. The optical properties were investigated in detail. It was found that after Sc substitute for Al, the The octahedral crystal-field parameter Dq and Dq/B was reduced, and that is why the absorption peak move to the longer wavelength side but the emission peak not moved.

scholarly journals The unbiased diffusion Monte Carlo: a versatile tool for two-electron systems confined in different geometries

2021 ◽  
Vol 75 (3) ◽  
Author(s):  
Gaia Micca Longo ◽  
Carla Maria Coppola ◽  
Domenico Giordano ◽  
Savino Longo
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Crystal Field ◽  
Electron Systems ◽  
Diffusion Monte Carlo ◽  
Different Types ◽  
Versatile Tool ◽  
The Many ◽  
Octahedral Crystal Field ◽  
Diffusion Monte Carlo Method

Abstract Computational codes based on the diffusion Monte Carlo method can be used to determine the quantum state of two-electron systems confined by external potentials of various natures and geometries. In this work, we show how the application of this technique in its simplest form, that does not employ complex analytic guess functions, allows to obtain satisfactory results and, at the same time, to write programs that are readily adaptable from one type of confinement to another. This adaptability allows an easy exploration of the many possibilities in terms of both geometry and structure of the system. To illustrate these results, we present calculations in the case of two-electron hydrogen-based species ($$\hbox {H}_{2}$$ H 2 and $$\hbox {H}_{3}^{+})$$ H 3 + ) and two different types of confinement, nanotube-like and octahedral crystal field. Graphic abstract

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