Energy Bands and Wave Functions in Periodic Potentials

1949 ◽  
Vol 76 (11) ◽  
pp. 1602-1610 ◽  
Author(s):  
Hubert M. James
1995 ◽  
Vol 51 (23) ◽  
pp. 16695-16704 ◽  
Author(s):  
P. Enders ◽  
A. Bärwolff ◽  
M. Woerner ◽  
D. Suisky

1969 ◽  
Vol 37 (1) ◽  
pp. 34-39
Author(s):  
R. Laverrière ◽  
J. Proriol

1990 ◽  
Vol 193 ◽  
Author(s):  
H. Winter ◽  
Z. Szotek ◽  
W. M. Temmerman

ABSTRACTThe self-consistent one-electron wave functions and energy bands obtained by the LMTO-ASA method within the local density approximation (LDA) are used to calculate the wave vector and frequency dependent non-interacting spin susceptibility of paramagnetic La2CuO4 in the body-centred tetragonal (bct) structure. We show that the tendency towards the antiferromagnetic instability is strongly dependent on the effects of the matrix elements which lead to a substantial depression of the susceptibility, especially near the X-point. The Fermi surface nesting properties, although important for the susceptibility, are by far not sufficient for the instability and the interband transitions turn out to be of great significance. Our results indicate that the susceptibility is at least 3 times too small to drive this system through a transition to the antiferromagnetic state, and we discuss possible reasons for this failure.


1999 ◽  
Vol 59 (3) ◽  
pp. 2190-2202 ◽  
Author(s):  
M. Horne ◽  
I. Jex ◽  
A. Zeilinger

1975 ◽  
Vol 53 (23) ◽  
pp. 2549-2554 ◽  
Author(s):  
R. D. Grimes ◽  
E. R. Cowley

The microscopic dielectric function is calculated for a simple model of a semiconductor, originally proposed by Penn, in which the energy bands and wave functions are those of a one-dimensional, nearly free electron system, isotropically extended to three dimensions. The dielectric function is evaluated numerically so that all unnecessary approximations are avoided. The relationship between the static dielectric constant and the energy gap is found to be[Formula: see text]where S0 is about 0.6. The results for finite wave vectors, for a range of energy gaps, have been fitted to an interpolation formula to facilitate their use.


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