Spectroscopy, resolution, and ab initio calculation of vibronic fine structure in the optical absorption of Rh(III) doped in NaCl

1999 ◽  
Vol 110 (14) ◽  
pp. 6849-6857 ◽  
Author(s):  
Carl Ribbing ◽  
Ben Gilliams ◽  
Arnout Ceulemans ◽  
Kristine Pierloot ◽  
Dirk Vandenbroucke ◽  
...  
Keyword(s):  
Fine Structure ◽  
Optical Absorption ◽  
Ab Initio ◽  
Ab Initio Calculation

On the search for time variation in the fine-structure constant: Ab initio calculation of HfF+

JETP Letters ◽  
2009 ◽  
Vol 88 (9) ◽  
pp. 578-581 ◽  
Author(s):  
L. V. Skripnikov ◽  
N. S. Mosyagin ◽  
A. N. Petrov ◽  
A. V. Titov
Keyword(s):  
Fine Structure ◽  
Ab Initio ◽  
Time Variation ◽  
Ab Initio Calculation ◽  
Structure Constant ◽  
Fine Structure Constant

AB INITIO CALCULATION OF NH3 SPECTRUM

2016 ◽  
Author(s):  
Oleg Polyansky ◽  
Nikolay Zobov ◽  
Andrey Yachmenev ◽  
Sergei Yurchenko ◽  
Jonathan Tennyson ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation

Atomic and Electronic Structure of Boron-Doped Diamond Grain Boundaries Studied by Arhvtem and ab-Initio Calculation

2003 ◽  
Vol 764 ◽  
Author(s):  
Hiroyuki Togawa ◽  
Hideki Ichinose
Keyword(s):  
Ab Initio ◽  
Grain Boundaries ◽  
Ab Initio Calculation ◽  
Structure Model ◽  
Boron Doped Diamond ◽  
Boron Doped ◽  
Transmission Electron ◽  
Diamond Grain ◽  
Electron Energy Loss ◽  
Atomic And Electronic Structure

AbstractAtomic resolution high-voltage transmission electron microscopy and electron energy loss spectroscopy were performed on grain boundaries of boron-doped diamond, cooperated with the ab-initio calculation. Segregated boron in the {112}∑3 boundary was caught by the EELS spectra. The change in atomic structure of the segregated boundary was successfully observed from the image by ARHVTEM. Based on the ARHVTEM image, a segregted structure model was proposed.

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