Density-functional one-body potential theory of the Fermi surface via the Kohn anomaly

1988 ◽  
Vol 38 (14) ◽  
pp. 10067-10068 ◽  
Author(s):  
N. H. March
Keyword(s):  
Fermi Surface ◽  
Potential Theory ◽  
Density Functional ◽  
Body Potential

scholarly journals Structure of the Super Neutronised Doubly Closed Shell Nucleus 132Sn

1992 ◽  
Vol 45 (1) ◽  
pp. 39 ◽  
Author(s):  
Rupayan Bhattacharya
Keyword(s):  
Fermi Surface ◽  
Charge Distribution ◽  
Excellent Agreement ◽  
Single Particle ◽  
Ground State ◽  
Closed Shell ◽  
Mass Region ◽  
Body Potential ◽  
State Charge ◽  
Closed Shell Nucleus

The scenario of single particle (proton as well as neutron) states near the Fermi surface of 132Sn has been investigated on the basis of an average one-body potential suitably optimised for 208Pb and then extrapolated to the mass region concerned. The calculation shows excellent agreement with experiment. The ground state charge distribution of the nucleus has also been calculated.

STRUCTURE AND MAGNETIC PROPERTIES OF Co12X(X = Ni, Ag, Pt, Au) CLUSTERS

2007 ◽  
Vol 21 (30) ◽  
pp. 5091-5098 ◽  
Author(s):  
Q. L. LU ◽  
J. C. JIANG ◽  
J. G. WAN ◽  
G. H. WANG
Keyword(s):  
Density Functional ◽  
Magnetic Moments ◽  
Stable Configuration ◽  
Many Body ◽  
Generalized Gradient ◽  
Functional Theory ◽  
Au Clusters ◽  
The Density Functional Theory ◽  
Ground State Structures ◽  
Body Potential

The ground state structures of Co 12 X ( X = Ni , Ag , Pt , Au ) clusters are obtained by a genetic algorithm with a Gupta-like many-body potential, and further optimized using the density functional theory with generalized gradient approximation. The structures of Co 12 X have a slightly distorted icosahedral pattern. The X atom is on the surface for the most stable configuration. Their total magnetic moments are 0μ B , 3μ B , 21μ B , and 22μ B , respectively. The reasons for the reduction of magnetism of Co 12 X are discussed in detail.

Electronic Structure, Magnetism and Spin-Fluctuations in Fe-As Based Superconductors

2008 ◽  
Vol 1148 ◽  
Author(s):  
David Joseph Singh ◽  
Mao-Hua Du ◽  
Lijun Zhang ◽  
Alaska Subedi ◽  
Jiming An
Keyword(s):  
Electronic Structure ◽  
Fermi Surface ◽  
Density Functional ◽  
Density Wave ◽  
Spin Density Wave ◽  
Functional Results ◽  
Spin Fluctuations ◽  
Square Lattice ◽  
Itinerant Magnetism ◽  
Strong Spin

AbstractThe physical properties of the layered iron superconductors and related phases are discussed starting from first principles calculations. The electronic structure is described as that of metallic Fe2+ square lattice sheets with substantial direct Fe-Fe hopping and interactions with the neighboring anionic pnictogens or chalcogens. The materials have a semi-metallic band structure, and in particular the Fermi surface consists of small cylindrical electron sections centered at the zone corner, and compensating hole sections at the zone boundary. The density of states N(EF) is high placing the materials near itinerant magnetism in general, and furthermore the small Fermi surface sections are well nested leading to a tendency towards a spin density wave. Comparison of experimental and density functional results imply the presence of exceptionally strong spin fluctuations in these materials. Superconductivity is discussed within this context.

scholarly journals The Energy-Density Functional of an Electron Gas in Locally Linear Approximation of the One-Body Potential

1972 ◽  
Vol 27 (8-9) ◽  
pp. 1176-1186 ◽  
Author(s):  
R. Baltin
Keyword(s):  
Energy Density ◽  
Density Matrix ◽  
Density Functional ◽  
Particle Density ◽  
Parametric Representation ◽  
Kinetic Energy Density ◽  
Linear Potential ◽  
Energy Density Functional ◽  
The One ◽  
Body Potential

Abstract For a system of independent electrons moving in a common one-body potential V (r) an integral representation of Dirac's density matrix is evaluated in the approximation that V(r) at the point r is replaced by a linear potential with a gradient equal to the gradient of V at r. The particle density ᵨ, ∇ᵨ and the kinetic-energy density εk are derived from the density matrix. After eliminating the potential and its gradient a parametric representation for εk in terms of ᵨ and y = |∇ᵨ |½ ᵨ-⅔ is obtained. Explicit analytical expressions are given in the limits y → 0 and y → ∞ and compared with the inhomogeneity corrections of Kirzhnits and v. Weizsäcker.

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