Electronic transport, density of states and ground state properties of Li–In binary alloy

2008 ◽  
Vol 403 (19-20) ◽  
pp. 3374-3378 ◽  
Author(s):  
Ashwani Kumar ◽  
S.M. Rafique ◽  
T.P. Sinha
Keyword(s):  
Density Of States ◽  
Binary Alloy ◽  
Electronic Transport ◽  
Ground State ◽  
Ground State Properties

scholarly journals Electronic band structure, optical, dynamical and thermodynamic properties of cesium chloride (CsCl) from first-principles

2015 ◽  
Vol 6 ◽  
pp. A7 ◽  
Author(s):  
Suat Bingol ◽  
Bahattin Erdinc ◽  
Harun Akkus
Keyword(s):  
Thermodynamic Properties ◽  
Band Structure ◽  
Density Of States ◽  
Ground State ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Cesium Chloride ◽  
Total Density ◽  
Electronic Band ◽  
Ground State Properties

The geometric structural optimization, electronic band structure, total density of states for valence electrons, density of states for phonons, optical, dynamical, and thermodynamical features of cesium chloride have been investigated by linearized augmented plane wave method using the density functional theory under the generalized gradient approximation. Ground state properties of cesium chloride are studied. The calculated ground state properties are consistent with experimental results. Calculated band structure indicates that the cesium chloride structure has an indirect band gap value of 5.46 eV and is an insulator. From the obtained phonon spectra, the cesium chloride structure is dynamically stable along the various directions in the Brillouin zone. Temperature dependent thermodynamic properties are studied using the harmonic approximation model.

ELECTRONIC STRUCTURE AND GROUND STATE PROPERTIES OF NON-MAGNETIC NiPt SYSTEMS

2003 ◽  
Vol 17 (25) ◽  
pp. 4447-4456 ◽  
Author(s):  
DURGA PAUDYAL ◽  
ABHIJIT MOOKERJEE
Keyword(s):  
Electronic Structure ◽  
Density Of States ◽  
Ground State ◽  
Cohesive Energy ◽  
Formation Energy ◽  
Relativistic Correction ◽  
Orbital Method ◽  
High Concentration ◽  
Charge Neutrality ◽  
Ground State Properties

We have studied the electronic properties like density of states and band structures and also the ground state properties like formation energy, cohesive energy, bulk modulus and structural energy of NiPt system using the linearized muffin-tin orbital method introduced by Andersen.1,2 In an earlier communication we had argued that both charge neutrality and scalar relativistic corrections are very important for the high concentration of Pt alloys. The calculations here, were, therefore, carried out with charge neutrality as well as with and without scalar relativistic correction for comparison.

Ground-State Properties of Superfluid Fermi Gas in Fourier-Synthesized Optical Lattices

2014 ◽  
Vol 31 (3) ◽  
pp. 030301 ◽  
Author(s):  
Yan Chen ◽  
Ke-Zhi Zhang ◽  
Xiao-Liang Wang ◽  
Yong Chen
Keyword(s):  
Ground State ◽  
Optical Lattices ◽  
Fermi Gas ◽  
Superfluid Fermi Gas ◽  
Ground State Properties ◽  
Superfluid Fermi

TABLE OF GROUND STATE PROPERTIES OF NUCLEI IN THE RMF MODEL

2013 ◽  
Vol 28 (16) ◽  
pp. 1350068 ◽  
Author(s):  
TUNCAY BAYRAM ◽  
A. HAKAN YILMAZ
Keyword(s):  
Ground State ◽  
Mean Field ◽  
Properties Of Nuclei ◽  
Relativistic Mean Field ◽  
Ground State Properties ◽  
Pairing Correlations ◽  
Ground State Energies ◽  
Rmf Model

The ground state energies, sizes and deformations of 1897 even–even nuclei with 10≤Z ≤110 have been carried out by using the Relativistic Mean Field (RMF) model. In the present calculations, the nonlinear RMF force NL3* recent refitted version of the NL3 force has been used. The BCS (Bardeen–Cooper–Schrieffer) formalism with constant gap approximation has been taken into account for pairing correlations. The predictions of RMF model for the ground state properties of some nuclei have been discussed in detail.

Electronic, structural and ground state properties of 3d transition metal mononitrides: A first principles study

2013 ◽  
Author(s):  
R. Rajeswarapalanichamy ◽  
M. Santhosh ◽  
G. Sudha Priyanga ◽  
A. T. Asvini Meenaatci ◽  
S. Kanagaprabha
Keyword(s):  
Transition Metal ◽  
Ground State ◽  
First Principles ◽  
First Principles Study ◽  
Ground State Properties

VMC CALCULATIONS OF THE GROUND STATE PROPERTIES OF NUCLEAR MATTER

2005 ◽  
Vol 14 (02) ◽  
pp. 255-267 ◽  
Author(s):  
KAAN MANİSA ◽  
ÜLFET ATAV ◽  
RIZA OGUL
Keyword(s):  
Nuclear Matter ◽  
Ground State ◽  
Nucleon Nucleon ◽  
Neutron Matter ◽  
Potential Term ◽  
Ground State Properties ◽  
Dependent Potential ◽  
Variational Monte Carlo Method ◽  
Kinetic And Potential Energies ◽  
Good Agreement

A Variational Monte Carlo method (VMC) is described for the evaluation of the ground state properties of nuclear matter. Equilibrium properties of symmetric nuclear matter and neutron matter are calculated by the described VMC method. The Urbana ν14 potential is used for the nucleon–nucleon interactions in the calculations. Three- and more-body interactions are included as a density dependent potential term. Total, kinetic and potential energies per particle are obtained for nuclear and neutron matter. Pressure values of nuclear and neutron matter are also calculated at various densities. The binding energy of nuclear matter is found to be -16.06 MeV at a saturation density of 0.16 fm -3. The results obtained are in good agreement with those obtained by various authors with different potentials and techniques.

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