Electric Field Gradients of Fluorides Calculated by the Full Potential KKR Green's Function Method

2004 ◽  
Vol 158 (1-4) ◽  
pp. 95-98
Author(s):  
M. Ogura ◽  
H. Akai ◽  
T. Minamisono
Keyword(s):  
Electric Field ◽  
Green’S Function ◽  
Green's Function ◽  
Function Method ◽  
Full Potential ◽  
Electric Field Gradients ◽  
Green’S Function Method ◽  
Field Gradients ◽  
Full Potential Kkr

A Full-Potential Kkr Green's Function Method for Impurities in Metals

1991 ◽  
Vol 253 ◽  
Author(s):  
P.H. Dederichs ◽  
B. Drittler ◽  
R. Zeller
Keyword(s):  
Green’S Function ◽  
Green's Function ◽  
Function Method ◽  
Full Potential ◽  
Green’S Function Method ◽  
Local Moments ◽  
Atomic Sphere ◽  
Technical Details ◽  
The Individual ◽  
Formation Energies

ABSTRACTWe have developed a full-potential extension of the KKR Green's function method for impurities. The crystal potential is split into a sum of non-overlapping, cellular potentials. The solution for the individual anisotropic potentials is constructed by an iteration procedure starting from the solution for the isotropic potential. We discuss some technical details of the method and its efficiency in applications to impurities in metals. As examples we choose: i) calculations of local moments and Friedel oscillations in metals, ii) calculations of vacancy formation energies, iii) calculations of forces based on the Hellmann-Feynman theorem. For these applications we discuss the importance of the inclusion of full-potentials in comparison to atomic-sphere potentials.

scholarly journals On the Equivalence of the Electric Field Laws at the Electrostatic Field to Coulomb's Law　--by Green's function method--

2020 ◽  
Author(s):  
Hiroki Tahara
Keyword(s):  
Electric Field ◽  
Green’S Function ◽  
Green's Function ◽  
Electrostatic Field ◽  
Function Method ◽  
Green’S Function Method ◽  
Coulomb’S Law ◽  
Coulomb's Law

電磁気学ノート8　静電場における電場に関する法則のCoulombの法則に対する等価性について --Green関数法による考察--

A Full-Potential KKR-GREEN's Function Method to Calculate the Electronic Structure of Surfaces

1991 ◽  
Vol 253 ◽  
Author(s):  
R. Zeller ◽  
P. Lang ◽  
B. Drittler ◽  
P.H. Dederichs
Keyword(s):  
Electronic Structure ◽  
Green’S Function ◽  
Green's Function ◽  
Density Functional ◽  
Function Method ◽  
Full Potential ◽  
Local Spin Density Approximation ◽  
Green’S Function Method ◽  
Functional Theory ◽  
First Results

ABSTRACTWe present a multiple-scattering Green's function method to calculate the electronic structure of ideal surfaces and surfaces with point defects. In our method we use the full potential in each atomic cell and describe the surface as a twodimensional defect of the bulk crystal by removing several (three to five) adjacent layers. We have implemented our method within density-functional theory in the local-spin-density approximation and present first results for the Cu (001)-surface, for magnetic monolayers on this surface and for such monolayers in bulk Cu.

THE ATOMISTIC GREEN'S FUNCTION METHOD FOR INTERFACIAL PHONON TRANSPORT

2014 ◽  
Vol 17 (N/A) ◽  
pp. 89-145 ◽  
Author(s):  
Sridhar Sadasivam ◽  
Yuhang Che ◽  
Zhen Huang ◽  
Liang Chen ◽  
Satish Kumar ◽  
...  
Keyword(s):  
Green’S Function ◽  
Green's Function ◽  
Function Method ◽  
Phonon Transport ◽  
Green’S Function Method
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