Lattice vibrations in the harmonic approximation

2017/11/12 by Paradezhenko, G. V., Melnikov, N. B., Reser, B. I. · 1 citation
#60E10 #81S05 #82B21 #82D35 #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Mathematical Physics (math-ph) #Quantum Physics (quant-ph) #Strongly Correlated Electrons (cond-mat.str-el)

paper · doi:10.48550/arxiv.1711.04302

Abstract

We present some theoretical results on the lattice vibrations that are necessary for a concise derivation of the Debye-Waller factor in the harmonic approximation. First we obtain an expression for displacement of an atom in a crystal lattice from its equilibrium position. Then we show that an atomic displacement has the Gaussian distribution. Finally, we obtain the computational formula for the Debye-Waller factor in the Debye model.

Cited by

• Atomistic simulations of irradiation damage on the engineering timescale: Examining the dose rate effect in tungsten

Related

• EXAFS Debye–Waller Factor and Thermal Vibrations of Crystals
• Dynamical Matrices and Interatomic-Force Constants from Wave-Commensurate Supercells
• Accurate and Efficient Phonon Calculations in Molecular Crystals via Minimal Molecular Displacements
• Forced Lattice Vibrations -- A Videotext
• Finite temperature external potential in crystalline solids