Lattice Green's Function for Multiscale Modeling of Strain Field Due to a Vacancy or Other Point Defects in Graphene

MRS Advances ◽  
2020 ◽  
Vol 5 (52-53) ◽  
pp. 2717-2725
Author(s):  
V.K. Tewary ◽  
E.J. Garboczi
Keyword(s):  
Green’S Function ◽  
Point Defect ◽  
Multiscale Modeling ◽  
Green's Function ◽  
Point Defects ◽  
Strain Field ◽  
Function Method ◽  
2D Materials ◽  
Dyson Equation ◽  
Other Point Defects

AbstractA multiscale Green's function method, based upon a solution of the Dyson equation, is described for modeling the strain field due to a vacancy or any other point defect in graphene and other 2D materials. Numerical results are presented using a fourth-neighbor force-constant model for the purpose of illustration.

Green's Function Method in the Equivalent Orbital Basis. Point Defects and Complexes of Two Point Defects in Silicon

1984 ◽  
Vol 126 (1) ◽  
pp. 311-321 ◽  
Author(s):  
A. Sh. Makhmudov ◽  
Z. M. Khakimov ◽  
A. A. Levin ◽  
M. S. Yunusov ◽  
P. K. Khabibullaev
Keyword(s):  
Green’S Function ◽  
Green's Function ◽  
Point Defects ◽  
Function Method ◽  
Green’S Function Method ◽  
Orbital Basis ◽  
Basis Point

Multiscale Modeling of Point Defects and Free Surfaces in Semi-infinite Solids

2002 ◽  
Vol 731 ◽  
Author(s):  
V.K. Tewary
Keyword(s):  
Green’S Function ◽  
Multiscale Modeling ◽  
Green's Function ◽  
Point Defects ◽  
Extended Defects ◽  
Free Surfaces ◽  
Lattice Statics ◽  
Surfaces And Interfaces ◽  
Macroscopic Continuum ◽  
The Continuum

AbstractA Green's function method is described for multiscale modeling of point defects such as vacancies and interstitials at the atomistic level and extended defects such as free surfaces and interfaces at the macroscopic continuum level in a solid. The point defects are represented in terms of Kanzaki forces using the lattice-statics Green's function, which can model a large crystallite containing a million atoms without excessive CPU effort. The lattice-statics Green's function reduces to the continuum Green's function in the asymptotic limit which is used to model the extended defects by imposing continuum- model boundary conditions. Numerical results are presented for the displacement field on the free surface due to a vacancy in semi-infinite fcc copper.

Green's Function Method for Calculation of Strain Field Due to a Quantum Dot in a Semi-Infinite Anisotropic Solid

2002 ◽  
Vol 727 ◽  
Author(s):  
V.K. Tewary
Keyword(s):  
Quantum Dots ◽  
Free Surface ◽  
Quantum Dot ◽  
Green’S Function ◽  
Green's Function ◽  
Strain Field ◽  
Function Method ◽  
Field Interaction ◽  
Green’S Function Method ◽  
Analytic Expressions

AbstractA computationally convenient Green's function method is described for calculation of strain characteristics of quantum dots in an anisotropic semi- infinite solid containing a free surface. Semi-analytic expressions are derived for the strain field due to a quantum dot, strain energy of a quantum dot, and strain- field interaction between 2 quantum dots. Numerical results are presented for the strain field due to a quantum dot in GaAs. It is shown that the effect of the free surface, which has been neglected in earlier calculations using Green's function methods, is quite significant.

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
Sign in / Sign up

Export Citation Format

Share Document