Size effects in the electronic properties of hydrogen and helium embedded in small metal clusters: The self-consistent spherical-jellium-particle model

1988 ◽  
Vol 37 (17) ◽  
pp. 9993-10002 ◽  
Author(s):  
W. Ekardt
Keyword(s):  
Electronic Properties ◽  
Size Effects ◽  
Metal Clusters ◽  
The Self ◽  
Particle Model ◽  
Self Consistent

Electronic properties of austenite and martensite Fe-9%Mn alloys

Open Physics ◽  
2008 ◽  
Vol 6 (4) ◽  
Author(s):  
Ercan Uçgun ◽  
Hamza Ocak
Keyword(s):  
Total Energy ◽  
Electronic Properties ◽  
Lattice Relaxation ◽  
The Self ◽  
Full Potential ◽  
Generalized Gradient ◽  
Plane Wave Method ◽  
Lattice Constants ◽  
Generalized Gradient Approximation ◽  
Self Consistent

AbstractWe calculate the electronic properties of austenite and martensite Fe-9%Mn alloys using the self consistent full-potential linearized-plane-wave method under the generalized gradient approximation full lattice relaxation. By minimizing total-energy, the lattice constants in their ground states were determined. We discuss the total energy dependence of the volume, and density of states (DOS).

scholarly journals Optical and Electronic Properties of Semiconductor 2D Nanosystems: Self-consistent Tight-binding Calculations

VLSI Design ◽  
1998 ◽  
Vol 8 (1-4) ◽  
pp. 469-473
Author(s):  
Andrea Reale ◽  
Aldo Di Carlo ◽  
Sara Pescetelli ◽  
Marco Paciotti ◽  
Paolo Lugli
Keyword(s):  
Optical Properties ◽  
Electronic Properties ◽  
Function Approximation ◽  
Tight Binding ◽  
The Self ◽  
Optical And Electronic Properties ◽  
Self Consistent ◽  
Binding Models ◽  
Band Profile ◽  
Band Mixing

A tight-binding models which account for band mixing, strain and external applied potentials in a self-consistent fashion has been developed. This allows us to describe electronic and optical properties of nanostructured devices beyond the usual envelope function approximation. This model can be applied to direct and indirect gap semiconductors thus allowing for instance the self-consistent calculation of band profile and carrier control in pseudomorphic InGaAs/GaAs HEMTs and SiGe/Si MODFETs.

Molecular-orbital studies of transition- and noble-metal clusters by the self-consistent-field-Xαscattered-wave method

1976 ◽  
Vol 13 (4) ◽  
pp. 1396-1415 ◽  
Author(s):  
R. P. Messmer ◽  
S. K. Knudson ◽  
K. H. Johnson ◽  
J. B. Diamond ◽  
C. Y. Yang
Keyword(s):  
Molecular Orbital ◽  
Noble Metal ◽  
Metal Clusters ◽  
The Self ◽  
Wave Method ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field
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