First-principles calculation of the three-dimensional band structure of poly(phenylene vinylene)

1993 ◽  
Vol 47 (4) ◽  
pp. 1800-1810 ◽  
Author(s):  
P. Gomes da Costa ◽  
R. G. Dandrea ◽  
E. M. Conwell
Keyword(s):  
Band Structure ◽  
First Principles ◽  
Three Dimensional ◽  
First Principles Calculation ◽  
Phenylene Vinylene

First Principles Three-Dimensional Band-Structure of Trans-Polyacetylene

1985 ◽  
Vol 117 (1) ◽  
pp. 193-196 ◽  
Author(s):  
J. Ashkenazi ◽  
E. Ehrenfreund ◽  
Z. Vardeny ◽  
O. Brafman
Keyword(s):  
Band Structure ◽  
First Principles ◽  
Three Dimensional

Band structure, phonon spectrum, and thermoelectric properties of β-BiAs and β-BiSb monolayers

2020 ◽  
Vol 8 (2) ◽  
pp. 581-590 ◽  
Author(s):  
C. Y. Wu ◽  
L. Sun ◽  
J. C. Han ◽  
H. R. Gong
Keyword(s):  
Band Structure ◽  
Thermoelectric Properties ◽  
First Principles ◽  
Phonon Spectrum ◽  
Transport Theory ◽  
First Principles Calculation ◽  
Boltzmann Transport ◽  
Band Structures ◽  
Boltzmann Transport Theory ◽  
Phonon Spectra

First-principles calculation and Boltzmann transport theory have been combined to comparatively investigate the band structures, phonon spectra, and thermoelectric properties of both β-BiSb and β-BiAs monolayers.

scholarly journals Gapless band structure of PbPdO2: A combined first principles calculation and experimental study

2011 ◽  
Vol 99 (1) ◽  
pp. 012103 ◽  
Author(s):  
S. W. Chen ◽  
S. C. Huang ◽  
G. Y. Guo ◽  
J. M. Lee ◽  
S. Chiang ◽  
...  
Keyword(s):  
Experimental Study ◽  
Band Structure ◽  
First Principles ◽  
First Principles Calculation

First-Principles Calculation of Diamagnetic Band Structure

1980 ◽  
Vol 45 (4) ◽  
pp. 276-279 ◽  
Author(s):  
H. J. Schellnhuber ◽  
G. M. Obermair
Keyword(s):  
Band Structure ◽  
First Principles ◽  
First Principles Calculation
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