Results 101 to 110 of about 10,291,480 (158)
TIGHT-BINDING POTENTIAL WITH CORRECTION OF BONDING ENVIRONMENT FOR SILICON-HYDROGEN
Acta Physica Sinica, 2001 We have developed a new Si-H tight-binding potential through introducing hydrogen atom into the previous silicon tight-binding potential model,in which the correction of environment around a Si-H bond is considered for the interaction between silicon and hydrogen.The testing results show good transferability,hence this new model can be used to do ...
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Delocalization in one-dimensional tight-binding models with fractal disorder
, 2015 In the present work, we investigated the correlation-induced localization-delocalization transition in the one-dimensional tight-binding model with fractal disorder.
Hiroaki S. Yamada
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, 2009 An investigation of the temperature and size dependant structural properties of gold nanoparticles was performed. Using a molecular dynamics simulation and the second moment approximation to the tight-binding model potential, a series of nanoparticles ...
Leisti, Tim
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Tight-binding parameter extraction and prediction of Cu3 structure
Undergraduate honors thesis / Opt outWe propose to model chains of CU3 atoms using the tight-binding approximation with the goal of predicting equilibrium bond distances for different length chains.
Jacobson, Yoel
core
Bloch oscillations in tight-binding lattices with defects
, 2010 Bloch oscillations in tight-binding lattices with ...
LONGHI, STEFANO
core
A Transferable Tight-Binding Potential for Transition Metal Silicides [PDF]
Europhysics News, 1995 openaire +1 more source
Dataset for "Optimization of ab-initio based tight-binding models"
Dick H. Dataset for "Optimization of ab-initio based tight-binding models".
Dick, Henrik
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Computer Physics Communications, 2020 We present the Tight-Binding Studio (TB Studio) software package that calculates the different parameters of a tight-binding Hamiltonian from a set of Bloch energy bands obtained from first principle theories such as density functional theory, Hartree ...
François M. Peeters, Mohammad Nakhaee
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Transferable tight-binding potential for germanium
Journal of Physics: Condensed Matter, 2012We report a new tight-binding potential model for Ge. In this model, the bonding environment around each bond is taken into account. The features of this model are extensively examined using various structures, such as the diamond bulk with point defects, reconstructed surfaces, nanowires and small and medium-sized clusters.
P F, Li, B C, Pan
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A tight-binding potential for helium in carbon systems
The Journal of Chemical Physics, 2008The presence of helium in carbon systems, such as diamonds and fullerenes is of interest for planetary sciences, geophysics, astrophysics, and evolution biology. Such systems typically involve a large number of atoms and require a fast method for assessing the interaction potential and forces.
Rebecca, Granot, Roi, Baer
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