scholarly journals Electronic structure, phonon spectra and electron–phonon interaction in ScB2

2013 ◽  
Vol 39 (7) ◽  
pp. 595-601 ◽  
Author(s):  
S. M. Sichkar ◽  
V. N. Antonov
2010 ◽  
Vol 297-301 ◽  
pp. 75-81 ◽  
Author(s):  
Alexander Feher ◽  
S.B. Feodosyev ◽  
I.A. Gospodarev ◽  
V.I. Grishaev ◽  
K.V. Kravchenko ◽  
...  

The calculation of the local density of electronic states of graphene with vacancies, using the method of Jacobi matrix, was performed. It was shown that for atoms in the sublattice with a vacancy the local density of electronic states conserves the Dirac singularity, similarly as in an ideal graphene. A quasi-Dirac singularity was observed also in the phonon spectra of graphite for the atom displacements in the direction perpendicular to layers. Changes of phonon spectra of graphite intercalated with various metals were analyzed. On the basis of our results and using the BCS theory and Eliashberg equation we proposed what dynamic properties an intercalated graphite system should show to obtain an increased Tc.


2007 ◽  
Vol 22 (8) ◽  
pp. 2185-2188 ◽  
Author(s):  
B. Xu ◽  
W.F. Zhang ◽  
X.Y. Liu ◽  
J. Yin ◽  
Z.G. Liu

The photocatalyst BaZn1/3Nb2/3O3 with ABO3 perovskite structure has been synthesized by using a solid-state reaction process. It was characterized by x-ray diffraction and photoluminescence spectroscopy. The luminescence band centers around 285 nm and shows a large Stokes shift compared with the excitation spectrum, indicating a strong electron–phonon interaction in the photocatalyst BaZn1/3Nb2/3O3. The electronic structure of BaZn1/3Nb2/3O3 was calculated by using the pseudopotential method of the density function theory. It shows that the conduction band should be mainly composed of the Nb 4d states, and the valence band should be mainly composed of the O 2p state. The densities of the O 2p states and the Zn 4s states at the bottom of the conduction band are very low. The Zn 4s states show an expanded structure, which was proposed to be helpful for the migration of the photoexcited carriers, thus favoring the photocatalytic activity of BaZn1/3Nb2/3O3.


1998 ◽  
Vol 58 (4) ◽  
pp. 2228-2232 ◽  
Author(s):  
A. Goldoni ◽  
C. Cepek ◽  
E. Magnano ◽  
A. D. Laine ◽  
S. Vandrè ◽  
...  

2005 ◽  
Vol 17 (44) ◽  
pp. 7151-7157 ◽  
Author(s):  
G Q Huang ◽  
M Liu ◽  
L F Chen ◽  
D Y Xing

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