Charge Self-Consistent Tight-Binding Parameters. Application to III-V Compound Semiconductors

physica status solidi (b) ◽

10.1002/pssb.2221310225 ◽

1985 ◽

Vol 131 (2) ◽

pp. 631-642 ◽

Author(s):

R. Strehlow ◽

M. Hanke ◽

W. Kühn

Keyword(s):

Tight Binding ◽

Compound Semiconductors ◽

Binding Parameters ◽

Self Consistent

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Nearest-neighbor sp3s* tight-binding parameters based on the hybrid quasi-particle self-consistent GW method verified by modeling of type-II superlattices

Journal of Applied Physics ◽

10.1063/1.4986658 ◽

2017 ◽

Vol 121 (23) ◽

pp. 235704 ◽

Author(s):

Akitaka Sawamura ◽

Jun Otsuka ◽

Takashi Kato ◽

Takao Kotani

Keyword(s):

Nearest Neighbor ◽

Tight Binding ◽

Type Ii ◽

Binding Parameters ◽

Quasi Particle ◽

Self Consistent ◽

Type Ii Superlattices

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sp3s*Tight-binding parameters for transport simulations in compound semiconductors

Superlattices and Microstructures ◽

10.1006/spmi.2000.0862 ◽

2000 ◽

Vol 27 (5-6) ◽

pp. 519-524 ◽

Author(s):

Gerhard Klimeck ◽

R Chris Bowen ◽

Timothy B Boykin ◽

Thomas A Cwik

Keyword(s):

Tight Binding ◽

Compound Semiconductors ◽

Binding Parameters

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Nearest-neighbor sp3d5s* tight-binding parameters based on the hybrid quasi-particle self-consistent GW method verified by modeling of type-II superlattices

Optical Materials Express ◽

10.1364/ome.8.001569 ◽

2018 ◽

Vol 8 (6) ◽

pp. 1569 ◽

Author(s):

Akitaka Sawamura ◽

Jun Otsuka ◽

Takashi Kato ◽

Takao Kotani ◽

Satofumi Souma

Keyword(s):

Nearest Neighbor ◽

Tight Binding ◽

Type Ii ◽

Binding Parameters ◽

Quasi Particle ◽

Self Consistent ◽

Type Ii Superlattices

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Self-Consistent-Charge Density-Functional Tight-Binding Parameters for Cd–X (X = S, Se, Te) Compounds and Their Interaction with H, O, C, and N

Journal of Chemical Theory and Computation ◽

10.1021/ct200266f ◽

2011 ◽

Vol 7 (7) ◽

pp. 2262-2276 ◽

Author(s):

Sunandan Sarkar ◽

Sougata Pal ◽

Pranab Sarkar ◽

A. L. Rosa ◽

Th. Frauenheim

Keyword(s):

Charge Density ◽

Density Functional ◽

Tight Binding ◽

Binding Parameters ◽

Self Consistent ◽

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Transferable Self-Consistent Charge Density Functional Tight-Binding Parameters for Li–Metal and Li-Ions in Inorganic Compounds and Organic Solvents

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b01839 ◽

2018 ◽

Vol 122 (20) ◽

pp. 10755-10764 ◽

Author(s):

Yunsong Li ◽

Yue Qi

Keyword(s):

Charge Density ◽

Organic Solvents ◽

Density Functional ◽

Inorganic Compounds ◽

Tight Binding ◽

Binding Parameters ◽

Self Consistent

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Self-consistent tight binding model adapted for hydrocarbon systems

Molecular Simulation ◽

10.1080/08927020500044988 ◽

2005 ◽

Vol 31 (8) ◽

pp. 585-595 ◽

Author(s):

D. A. Areshkin ◽

O. A. Shenderova ◽

J. D. Schall ◽

D. W. Brenner

Keyword(s):

Tight Binding ◽

Tight Binding Model ◽

Binding Model ◽

Self Consistent

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Independent-Band Tight-Binding Parameters for Fe–MgO–Fe Magnetic Heterostructures

IEEE Transactions on Nanotechnology ◽

10.1109/tnano.2009.2037221 ◽

2011 ◽

Vol 10 (2) ◽

pp. 237-243 ◽

Author(s):

Tehseen Zahra Raza ◽

Hassan Raza

Keyword(s):

Tight Binding ◽

Binding Parameters ◽

Magnetic Heterostructures

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Self-consistent tight-binding model of B and N doping in graphene

Physical Review B ◽

10.1103/physrevb.87.155433 ◽

2013 ◽

Vol 87 (15) ◽

Author(s):

Thomas Garm Pedersen ◽

Jesper Goor Pedersen

Keyword(s):

Tight Binding ◽

Tight Binding Model ◽

Binding Model ◽

Self Consistent ◽

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Tight-binding parameters for silicon-boron interactions with application to boron-defect pairs in crystalline silicon

Philosophical Magazine B ◽

10.1080/13642819608239113 ◽

1996 ◽

Vol 73 (1) ◽

pp. 71-84 ◽

Author(s):

Paul B. Rasband ◽

Andrew P. Horsfield ◽

Paulette Clancy

Keyword(s):

Crystalline Silicon ◽

Tight Binding ◽

Binding Parameters

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Modeling vibrational spectra using the self-consistent charge density-functional tight-binding method. I. Raman spectra

The Journal of Chemical Physics ◽

10.1063/1.1775787 ◽

2004 ◽

Vol 121 (11) ◽

pp. 5171-5178 ◽

Author(s):

Henryk A. Witek ◽

Keiji Morokuma ◽

Anna Stradomska

Keyword(s):

Charge Density ◽

Raman Spectra ◽

Vibrational Spectra ◽

Density Functional ◽

Tight Binding ◽

The Self ◽

Self Consistent ◽

Tight Binding Method

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