Relating normal vibrational modes to local vibrational modes with the help of an adiabatic connection scheme

2012 ◽  
Vol 137 (8) ◽  
pp. 084114 ◽  
Author(s):  
Wenli Zou ◽  
Robert Kalescky ◽  
Elfi Kraka ◽  
Dieter Cremer
Keyword(s):  
Vibrational Modes ◽  
Normal Vibrational Modes ◽  
Local Vibrational Modes ◽  
Adiabatic Connection Scheme

Relating normal vibrational modes to local vibrational modes: benzene and naphthalene

2012 ◽  
Vol 19 (7) ◽  
pp. 2865-2877 ◽  
Author(s):  
Wenli Zou ◽  
Robert Kalescky ◽  
Elfi Kraka ◽  
Dieter Cremer
Keyword(s):  
Vibrational Modes ◽  
Normal Vibrational Modes ◽  
Local Vibrational Modes

High Energy Local Vibrational Modes of Carbon Aggregates in SiC: Experimental and Theoretical Insight

2006 ◽  
Vol 527-529 ◽  
pp. 465-468 ◽  
Author(s):  
Alexander Mattausch ◽  
M. Bockstedte ◽  
Oleg Pankratov ◽  
John W. Steeds ◽  
S.A. Furkert ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
High Energy ◽  
Vibrational Modes ◽  
Energy Mode ◽  
Local Vibrational Modes ◽  
Theoretical Insight

We observe new photoluminescence centers in electron-irradiated 6H-SiC with phonon replicas up to 250 meV and clear threefold isotope splitting of the highest energy mode. Based on ab initio calculations, we discuss the tri-carbon anti-site (C3)Si and the di-interstitial (C2)Hex as models for these centers.

Temperature dependence of the normal vibrational modes of hcp Zr

1978 ◽  
Vol 18 (6) ◽  
pp. 2632-2642 ◽  
Author(s):  
C. Stassis ◽  
J. Zarestky ◽  
D. Arch ◽  
O. D. McMasters ◽  
B. N. Harmon
Keyword(s):  
Temperature Dependence ◽  
Vibrational Modes ◽  
Normal Vibrational Modes

Local vibrational modes of H complexes in Mg-doped GaN grown by molecular beam epitaxy

2004 ◽  
Vol 84 (6) ◽  
pp. 897-899 ◽  
Author(s):  
R. Cuscó ◽  
L. Artús ◽  
D. Pastor ◽  
F. B. Naranjo ◽  
E. Calleja
Keyword(s):  
Molecular Beam Epitaxy ◽  
Molecular Beam ◽  
Vibrational Modes ◽  
Local Vibrational Modes ◽  
Mg Doped

Local vibrational modes of the Mg–H acceptor complex in GaN

1996 ◽  
Vol 69 (24) ◽  
pp. 3725-3727 ◽  
Author(s):  
W. Götz ◽  
N. M. Johnson ◽  
D. P. Bour ◽  
M. D. McCluskey ◽  
E. E. Haller
Keyword(s):  
Vibrational Modes ◽  
Acceptor Complex ◽  
Local Vibrational Modes

scholarly journals Raman and infrared studies ofLa1−ySryMn1−xMxO3(M=Cr, Co, Cu, Zn, Sc or Ga): Oxygen disorder and local vibrational modes

2006 ◽  
Vol 73 (22) ◽  
Author(s):  
A. Dubroka ◽  
J. Humlíček ◽  
M. V. Abrashev ◽  
Z. V. Popović ◽  
F. Sapiña ◽  
...  
Keyword(s):  
Vibrational Modes ◽  
Infrared Studies ◽  
Local Vibrational Modes

Local vibrational modes of the CuO4-cluster in ZnO

1996 ◽  
Vol 159 (1-4) ◽  
pp. 889-892 ◽  
Author(s):  
I. Broser ◽  
G. Kaczmarczyk ◽  
P. Thurian ◽  
R. Heitz ◽  
A. Hoffmann
Keyword(s):  
Vibrational Modes ◽  
Local Vibrational Modes

scholarly journals Local vibrational modes of vacancy-oxygen-related complexes at room temperature

2020 ◽  
Vol 56 (4) ◽  
pp. 480-487
Author(s):  
E. A. Tolkacheva ◽  
V. P. Markevich ◽  
L. I. Murin
Keyword(s):  
Absorption Band ◽  
Room Temperature ◽  
Clear Correlation ◽  
Ir Absorption ◽  
Oxygen Impurity ◽  
Interstitial Oxygen ◽  
Vibrational Modes ◽  
Oxygen Defect ◽  
Absorption Bands ◽  
Local Vibrational Modes

The isotopic content of natural silicon (28Si (92.23 %), 29Si (4.68 %) и 30Si (3.09 %)) affects noticeably the shape of IR absorption bands related to the oxygen impurity atoms. In the present work an attempt is undertaken to determine the positions of local vibrational modes (LVMs), related to quasimolecules 28Si16OS29Si and 28Si16OS30Si (OS – substitutional oxygen atom), for the absorption spectra measured at room temperature. An estimation of the isotopic shifts of corresponding modes is done by fitting the shape of the experimentally measured absorption band related to the vacancy–oxygen center in irradiated Si crystals. The LVM isotope shifts are found to be equal 2,2 ± 0.25 cm–1 for 28Si-16OS29Si and 4,3 ± 0,9 см–1 for 28Si-16OS30Si in relation to the basic band due to 28Si-16OS28Si, and the full width at half maximum of the A-center absorption band (28Si-16OS28Si) is 5,3 ± 0.25 cm–1. By means of infrared absorption spectroscopy a clear correlation between the disappearance of the divacancy (V2) in the temperature range 200–275 ºС and appearance of two absorption bands with their maxima at 825.8 and 839.2 cm–1 in irradiated oxygen-rich Si crystals is found. The band positioned at 825.8 cm–1 is assigned to a divacancy-oxygen defect V2O formed via an interaction of mobile V2 with interstitial oxygen (Oi ) atoms. The 839.2 cm–1 band is much more pronounced in neutron irradiated samples as compared to samples irradiated with electrons. We argue that it is related to a trivacancy–oxygen defect (V3O) formed via an interaction of mobile V3 with Oi atoms.

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