Electronic band structure of phosphorus-doped single crystal diamond: Dynamic Jahn-Teller distortion of the tetrahedral donor ground state

2020 ◽  
Vol 102 (11) ◽  
Author(s):  
V. D. Blank ◽  
K. N. Boldyrev ◽  
V. N. Denisov ◽  
V. V. Denisov ◽  
A. S. Galkin ◽  
...  
Keyword(s):  
Band Structure ◽  
Single Crystal ◽  
Ground State ◽  
Electronic Band Structure ◽  
Electronic Band ◽  
Teller Distortion ◽  
Single Crystal Diamond ◽  
Jahn Teller ◽  
Phosphorus Doped ◽  
Jahn Teller Distortion

ChemInform Abstract: Single Crystal Growth, Transport, and Electronic Band Structure of YCoGa5.

ChemInform ◽  
2013 ◽  
Vol 44 (44) ◽  
pp. no-no
Author(s):  
Xiangde Zhu ◽  
Wenjian Lu ◽  
Wei Ning ◽  
Zhe Qu ◽  
Li Li ◽  
...  
Keyword(s):  
Crystal Growth ◽  
Band Structure ◽  
Single Crystal ◽  
Electronic Band Structure ◽  
Single Crystal Growth ◽  
Electronic Band

The electronic emission spectrum of triatomic hydrogen. II. The perpendicular bands near 7100 Å

1980 ◽  
Vol 58 (8) ◽  
pp. 1250-1258 ◽  
Author(s):  
G. Herzberg ◽  
J. K. G. Watson
Keyword(s):  
Band Structure ◽  
Zero Point ◽  
Lower State ◽  
Calculated Spectrum ◽  
Unusual Structure ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Characteristic Features ◽  
Large Width ◽  
Jahn Teller Distortion

The strongest emission bands of H3 and D3 near 7100 Å are shown to be [Formula: see text] bands even though of a somewhat unusual structure. Because of the large width of the lines (the same as those of the 5600 Å [Formula: see text] bands) the only method of analysis is by model bands whose parameters are changed until the best fit between observed and calculated spectrum is obtained. As expected on the basics of the line width the lower state is found to be identical with that of the 5600 Å band, i.e., 2s2A1′, while the upper state is 3p2E′. The band structure of a [Formula: see text] band depends strongly on the value of ζ, the electronic angular momentum. When as in the present case ζ is close to 1, pseudo-branches with a constant N – K form the most characteristic features of the [Formula: see text] band. The ζ value determined here for the 3p2E′ state of D3 is 0.8775 which is very close to the ab initio value of King and Morokuma after the latter has been corrected for quenching by the zero-point vibration as a result of Jahn–Teller interaction. In addition the band structure shows clearly the effects of Λ-type doubling and Λ-type resonance which is made especially large by Jahn–Teller distortion. The final B0 value of D3 in the 3p2E′ state, i.e., B0 = 21.16 cm−1, is smaller than the predicted value (21.61 cm−1) for the ground state of D3+ suggesting that the 3pe′ orbital is anti-bonding in agreement with the predictions of King and Morokuma.

Jahn-Teller distortion ordering in single-crystal Nd1/2Sr1/2MnO3

2004 ◽  
Vol 1 (7) ◽  
pp. 1641-1644 ◽  
Author(s):  
Mohammad E. Ghazi ◽  
P. D. Hatton
Keyword(s):  
Single Crystal ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Distortion

scholarly journals The actual electronic band structure of a rubrene single crystal

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Jun Nitta ◽  
Kazumoto Miwa ◽  
Naoki Komiya ◽  
Emilia Annese ◽  
Jun Fujii ◽  
...  
Keyword(s):  
Band Structure ◽  
Single Crystal ◽  
Electronic Band Structure ◽  
Electronic Band

Evidence of band structure modification due to Jahn–Teller distortion in LixMn2O4by photoacoustic spectroscopy

2007 ◽  
Vol 40 (12) ◽  
pp. 3807-3810 ◽  
Author(s):  
S Thomas Lee ◽  
K Raveendranath ◽  
Rajive M Tomy ◽  
Nibu A George ◽  
S Jayalekshmi ◽  
...  
Keyword(s):  
Band Structure ◽  
Photoacoustic Spectroscopy ◽  
Structure Modification ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Distortion
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