Published March 2012 | Version v1
Journal article

Universal relationships for the phonon spectra in BCC, FCC, and HCP crystals with a short-range interatomic interaction

  • 1. Russian Research Center Kurchatov Institute (Russian Federation)

Description

The frequencies of the phonon branches that correspond to the vibrations of the close-packed atomic planes in bcc, fcc, and hcp crystals with short-range interatomic interaction are shown to be described by a universal relationship, which only contains two parameters for each branch, for any polarization λ. These phonon branches correspond to the (ξ, ξ, 0) direction in bcc crystals, the (ξ, ξ, ξ) direction in fcc crystals, and the (0, 0, ξ) direction in hcp crystals. This universal relationship can only be violated by long-range interactions, namely, the interactions outside the sixth coordination shell in a bcc crystal, the fifth coordination shell in an fcc crystal, and the eleventh or tenth coordination shell in an hcp crystal. The effect of these long-range interactions for each phonon branch can be quantitatively characterized by certain parameters Δnλ, which are simply expressed in terms of the frequencies of three phonons of the branch. The values of these parameters are presented for all bcc, fcc, and hcp metals whose phonon spectra are measured. In most cases, the proposed relationships for the frequencies are found to be fulfilled accurate to several percent. In the cases where the Δnλ parameters are not small, they can give substantial information on the type and scale of long-range interaction effects in various metals.

Additional details

Identifiers

Publishing Information

Journal Title
Journal of Experimental and Theoretical Physics
Journal Volume
114
Journal Issue
3
Journal Page Range
p. 465-473
ISSN
1063-7761
CODEN
JTPHES

INIS

Country of Publication
United States
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
43116166
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
BCC LATTICES; CRYSTALS; ENERGY SPECTRA; FCC LATTICES; HCP LATTICES; INTERACTION RANGE; INTERATOMIC FORCES; METALS; PHONONS; POLARIZATION
Descriptors DEC
CRYSTAL LATTICES; CRYSTAL STRUCTURE; CUBIC LATTICES; DISTANCE; ELEMENTS; HEXAGONAL LATTICES; QUASI PARTICLES; SPECTRA

Optional Information

Copyright
Copyright (c) 2012 Pleiades Publishing, Ltd.