TY - JOUR
T1 - Precise solution for H-point oscillation
T2 - Mo, Na, and Fe
AU - Wang, Y.
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.
UR - http://www.scopus.com/inward/record.url?scp=0036640312&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0036640312&partnerID=8YFLogxK
U2 - 10.1088/0953-8984/14/25/103
DO - 10.1088/0953-8984/14/25/103
M3 - Letter
AN - SCOPUS:0036640312
SN - 0953-8984
VL - 14
SP - L453-L459
JO - Journal of Physics Condensed Matter
JF - Journal of Physics Condensed Matter
IS - 25
ER -