Path integral study of hydrogen and deuterium diffusion in crystalline silicon

Keyphrases

• Crystalline Silicon 100%
• Path Integral 100%
• Hydrogen Diffusion 100%
• Hopping Rate 100%
• Deuterium Diffusion 100%
• Correlation Function 50%
• Diffusion Process 50%
• Isotope Effect 50%
• Hydrogen Atom 50%
• Quantum Mechanical Methods 50%
• Diffusion Rate 50%
• Above Room Temperature 50%
• Potential Surface 50%
• Activated Dynamics 50%
• Quantum Tunneling 50%
• Quadratic Term 50%
• Reaction Pathway 50%
• Zero-point Energy 50%
• Via Density 50%
• Density Functional Method 50%
• Classical Molecular Dynamics 50%
• Multidimensional Integrals 50%
• Time Integral 50%
• Hydrogen Impurity 50%
• Monte Carlo Sampling 50%
• Real Time Path Integral 50%
• Tunneling Dynamics 50%
• Discrete Variable Representation 50%

Chemistry

• Hydrogen 100%
• Silicon 100%
• Path Integral 100%
• Deuterium 100%
• Molecular Dynamics 50%
• Hydrogen Atom 50%
• Ambient Reaction Temperature 50%
• Surface Potential 50%
• Zero Point Energy 50%
• Reaction Path 50%
• Quantum Mechanical Method 50%
• Density Functional Theory 50%
• Isotope Effect 50%

Engineering

• Crystalline Silicon 100%
• Tunnel Construction 100%
• Room Temperature 50%
• Diffusion Process 50%
• Surface Potential 50%
• Direction Perpendicular 50%
• Quadratic Term 50%
• Discretization 50%