scholarly journals Connectivity dependence of Fano resonances in single molecules

2017 ◽  
Vol 19 (9) ◽  
pp. 6416-6421 ◽  
Author(s):  
Ali K. Ismael ◽  
Iain Grace ◽  
Colin J. Lambert
Keyword(s):  
First Principles ◽  
Quantum Interference ◽  
Single Molecules ◽  
Tight Binding ◽  
Fano Resonances ◽  
Binding Models

Using a first principles approach combined with analysis of heuristic tight-binding models, we examine the connectivity dependence of two forms of quantum interference in single molecules.

scholarly journals Spin-polarized two-dimensional electron/hole gases on LiCoO$_2$ layers.

2021 ◽  
Vol 10 (3) ◽  
Author(s):  
Santosh Kumar Radha ◽  
Walter R. L. Lambrecht
Keyword(s):  
First Principles ◽  
Tight Binding ◽  
Surface States ◽  
Computational Results ◽  
First Principles Calculations ◽  
Dimensional Electron ◽  
Electron Hole ◽  
Spin Polarized ◽  
Binding Models ◽  
Bulk Band

First-principles calculations show the formation of a 2D spin polarized electron (hole) gas on the Li (CoO_22) terminated surfaces of finite slabs down to a monolayer, in remarkable contrast with the bulk band structure, which is stabilized by Li donating its electron to the CoO_22 layer forming a Co-d-t_{2g}^6d−t2g6 insulator. By mapping the first-principles computational results to a minimal tight-binding models corresponding to a non-chiral 3D generalization of the quadripartite Su-Schrieffer-Heeger (SSH4) model and symmetry analysis, we show that these surface states have topological origin.

scholarly journals Dynamical transitions in aperiodically kicked tight-binding models

2021 ◽  
Vol 103 (13) ◽  
Author(s):  
Vikram Ravindranath ◽  
M. S. Santhanam
Keyword(s):  
Tight Binding ◽  
Binding Models

Beyond two-center tight binding: Models for Mg and Zr

2020 ◽  
Vol 4 (11) ◽  
Author(s):  
R. M. Fogarty ◽  
J. Smutna ◽  
M. R. Wenman ◽  
A. P. Horsfield
Keyword(s):  
Tight Binding ◽  
Binding Models

scholarly journals Topological reduction of tight-binding models on branched networks

2002 ◽  
Vol 65 (5) ◽  
Author(s):  
P. Buonsante ◽  
R. Burioni ◽  
D. Cassi
Keyword(s):  
Tight Binding ◽  
Binding Models

scholarly journals Spectrum and diffusion for a class of tight-binding models on hypercubes

1999 ◽  
Vol 32 (12) ◽  
pp. 2361-2367 ◽  
Author(s):  
Julien Vidal ◽  
Rémy Mosseri ◽  
Jean Bellissard
Keyword(s):  
Tight Binding ◽  
Binding Models ◽  
And Diffusion

Structural stability of silicon in tight-binding models

1987 ◽  
Vol 20 (14) ◽  
pp. L263-L269 ◽  
Author(s):  
A T Paxton ◽  
A P Sutton ◽  
C M M Nex
Keyword(s):  
Structural Stability ◽  
Tight Binding ◽  
Binding Models
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