Precise solution for H-point oscillation

Mo, Na, and Fe

Yi Wang, R. Ahuja, O. Eriksson, B. Johansson, G. Grimvall

Research output: Contribution to journalLetter

3 Citations (Scopus)

Abstract

In the existing theory of lattice dynamics, the central roles are played by the harmonic and the quasi-harmonic approximations. In this letter, we try to derive an accurate solution for the one-dimensional oscillator, exemplified by the H-point phonon in body-centred cubic metals. This problem is formulated such that it takes the form of a one-dimensional periodic system. Mo, Na, and Fe have been chosen as prototypes and we have examined the changes of the phonon energies with temperature and pressure. We are able to reproduce, for the first time, the anomalous temperature dependence of the H-point phonon energy for Mo.

Original languageEnglish (US)
JournalJournal of Physics Condensed Matter
Volume14
Issue number25
DOIs
StatePublished - Jul 1 2002

Fingerprint

harmonics
oscillations
Lattice vibrations
Time varying systems
Metals
prototypes
oscillators
Temperature
temperature dependence
energy
approximation
metals
temperature

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Wang, Yi ; Ahuja, R. ; Eriksson, O. ; Johansson, B. ; Grimvall, G. / Precise solution for H-point oscillation : Mo, Na, and Fe. In: Journal of Physics Condensed Matter. 2002 ; Vol. 14, No. 25.
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Precise solution for H-point oscillation : Mo, Na, and Fe. / Wang, Yi; Ahuja, R.; Eriksson, O.; Johansson, B.; Grimvall, G.

In: Journal of Physics Condensed Matter, Vol. 14, No. 25, 01.07.2002.

Research output: Contribution to journalLetter

TY - JOUR

T1 - Precise solution for H-point oscillation

T2 - Mo, Na, and Fe

AU - Wang, Yi

AU - Ahuja, R.

AU - Eriksson, O.

AU - Johansson, B.

AU - Grimvall, G.

PY - 2002/7/1

Y1 - 2002/7/1

N2 - In the existing theory of lattice dynamics, the central roles are played by the harmonic and the quasi-harmonic approximations. In this letter, we try to derive an accurate solution for the one-dimensional oscillator, exemplified by the H-point phonon in body-centred cubic metals. This problem is formulated such that it takes the form of a one-dimensional periodic system. Mo, Na, and Fe have been chosen as prototypes and we have examined the changes of the phonon energies with temperature and pressure. We are able to reproduce, for the first time, the anomalous temperature dependence of the H-point phonon energy for Mo.

AB - In the existing theory of lattice dynamics, the central roles are played by the harmonic and the quasi-harmonic approximations. In this letter, we try to derive an accurate solution for the one-dimensional oscillator, exemplified by the H-point phonon in body-centred cubic metals. This problem is formulated such that it takes the form of a one-dimensional periodic system. Mo, Na, and Fe have been chosen as prototypes and we have examined the changes of the phonon energies with temperature and pressure. We are able to reproduce, for the first time, the anomalous temperature dependence of the H-point phonon energy for Mo.

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JF - Journal of Physics Condensed Matter

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