scholarly journals Electronic structure and Fermi surface character of LaNiPO from first principles

2008 ◽  
Vol 77 (21) ◽  
Author(s):  
Wei-Bing Zhang ◽  
Xiao-Bing Xiao ◽  
Wei-Yang Yu ◽  
Na Wang ◽  
Bi-Yu Tang
Keyword(s):  
Electronic Structure ◽  
Fermi Surface ◽  
First Principles ◽  
Surface Character

Electronic Structure Under Extreme Uniaxial Strains: Conductance in Metallic Nanocontacts.

1997 ◽  
Vol 499 ◽  
Author(s):  
Daniel Sánchez-Portal ◽  
Carlos Untiedt ◽  
José M. Soler ◽  
Juan J. Sáenz ◽  
Nicolas Agraït
Keyword(s):  
Electronic Structure ◽  
Fermi Surface ◽  
First Principles ◽  
Free Electron ◽  
Electron Gas ◽  
Uniaxial Stress ◽  
First Principles Calculations

ABSTRACTIn this work we address the behaviour of electronic structure under uniaxial stress, by first-principles calculations and experiments of conductance in nanometer-sized metallic contactes of Au and Al. These contacts are shown to be specially suitable for this purpose. The conductance behaviour is related to the change with strain of Fermi surface. Both experimental and theoretically Au behaves like the free electron gas but Al has the opposite behaviour.

Tight-Binding Study of the Electronic Structure of the high Temperature Superconductor La2CuO4

1987 ◽  
Vol 99 ◽  
Author(s):  
D. A. Papaconstantopoulos ◽  
M. J. Deweert ◽  
W. E. Pickett
Keyword(s):  
Electronic Structure ◽  
High Temperature ◽  
Band Structure ◽  
Fermi Surface ◽  
First Principles ◽  
High Temperature Superconductor ◽  
Tight Binding ◽  
Binding Study ◽  
Three Components

ABSTRACTWe have fit our first principles LAPW band structure results for the high Tc superconductor La2CuO4 to a tight-binding Hamiltonian that contains s, p, and d interactions from the three components of these materials. Our fit reproduces very accurately the 17 lower bands of this material and especially the Fermi surface.

The Electronic Structure And Phase Stabilities Of Metallic Alloys

1990 ◽  
Vol 186 ◽  
Author(s):  
B.L. Györffy ◽  
A. Barbieri ◽  
D.D. Jolnsoni ◽  
D.M. Nicholson ◽  
F.J. Pinski ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Fermi Surface ◽  
First Principles ◽  
Fermi Liquid ◽  
Condensed Matter ◽  
Metallic Alloys ◽  
First Principles Calculations ◽  
Effective Interactions ◽  
Atomic Nuclei ◽  
Positively Charged

AbstractCondensed matter consists of positively charged atomic nuclei and the electron glue which holds them together. Although it is attractive to attempt to oilodl it by nentral atoms interacting via. relatively weak pairwise ‘effective interactions’ in genbreak down the predictive and inter;retative power of the analysis. Hence, there is no substitute to forging a parameter-free and quantitative theory of the complex degenerate Fermi liquid ‘glue’ to complement phenomenological calculations. Such theory is the general aim of ’first-principles’ calculations of the electronic structure. This talk will concern past present and future first-principles calculations relevant it the state of compositional order in metallic alloys. Special attention will be paid to phaase insta bilities induced by Fermi Surface effects.

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