Tight-Binding Linear Muffin-Tin Orbital Implementation of the Difference Equation Green's Function Approach for 2D-Periodic Systems

1997 ◽  
Vol 491 ◽  
Author(s):  
Mark Van Schilfgaarde ◽  
Walter R. L. Lambrecht
Keyword(s):  
Difference Equation ◽  
Green’S Function ◽  
Green's Function ◽  
Tight Binding ◽  
Preliminary Test ◽  
Function Approach ◽  
Test Results ◽  
Layered Systems ◽  
The Difference ◽  
Linear Muffin Tin Orbital

ABSTRACTThe central ideas and the advantages of the difference equation Green's function approach for layered systems with 2D-periodicity are presented. The tight-binding linear muffin-tin orbital and other practical aspects of the implementation are discussed. Preliminary test results are presented.

Electronic Properties of Ultrathin Isoelectronic Intralayers in Semiconductors

1991 ◽  
Vol 240 ◽  
Author(s):  
K. A. Mäder ◽  
A. Baldereschi
Keyword(s):  
Quantum Well ◽  
Quantum Wells ◽  
Green’S Function ◽  
Electronic Properties ◽  
Green's Function ◽  
Tight Binding ◽  
Function Approach ◽  
Diamond Structure ◽  
Two Dimensional ◽  
Host Materials

ABSTRACTAn empirical tight-binding Koster-Slater approach is used to determine the electronic properties of ultrathin“quantum wells”in semiconducting host materials of the zincblende or diamond structure. The“quantum well”is viewed as a giant two-dimensional isoelectronic impurity, and treated in a perturbational Green's function approach. We present results on the AlAs/GaAs and on the InP/InAs systems.

On the in-plane electronic thermal conductivity of biased nanosheet β12-borophene

2020 ◽  
Vol 22 (11) ◽  
pp. 6318-6325
Author(s):  
Hong T. T. Nguyen ◽  
Bui D. Hoi ◽  
Tuan V. Vu ◽  
Phan V. Nham ◽  
Nguyen T. T. Binh
Keyword(s):  
Thermal Conductivity ◽  
Green’S Function ◽  
Green's Function ◽  
Tight Binding ◽  
Function Approach ◽  
Electronic Thermal Conductivity

In this work, with the aid of a five-band tight-binding Hamiltonian, the Green's function approach and the Kubo–Greenwood formalism, the electronic thermal conductivity of the semiconducting phase of β12-borophene is studied.

scholarly journals Quasiparticle energies for large molecules: A tight-binding-based Green’s-function approach

2005 ◽  
Vol 71 (2) ◽  
Author(s):  
T. A. Niehaus ◽  
M. Rohlfing ◽  
F. Della Sala ◽  
A. Di Carlo ◽  
Th. Frauenheim
Keyword(s):  
Green’S Function ◽  
Green's Function ◽  
Tight Binding ◽  
Function Approach ◽  
Large Molecules

Tight-binding Green’s-function approach to off-center defects: Nitrogen and oxygen in silicon

1986 ◽  
Vol 33 (12) ◽  
pp. 8188-8195 ◽  
Author(s):  
Morgan Besson ◽  
Gary G. DeLeo ◽  
W. Beall Fowler
Keyword(s):  
Green’S Function ◽  
Green's Function ◽  
Tight Binding ◽  
Function Approach
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