Ab initio calculation of optical absorption and reflectivity of Si(001)/SiO2 superlattices with varying interfaces

2008 ◽  
Vol 255 (3) ◽  
pp. 787-789 ◽  
Author(s):  
K. Seino ◽  
J.-M. Wagner ◽  
F. Bechstedt
Keyword(s):  
Optical Absorption ◽  
Ab Initio ◽  
Ab Initio Calculation

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

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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