Construction of a dynamical matrix for an HCP crystal using phonon data at the symmetry points of the Brillouin zone and elastic constants

被引:4
作者
Vaks, V. G. [1 ]
Khromov, K. Yu. [1 ]
机构
[1] Russian Res Ctr, Kurchatov Inst, Moscow 123182, Russia
基金
俄罗斯基础研究基金会;
关键词
D O I
10.1134/S1063776108030102
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
General analytical expressions are obtained for the dynamical matrix D(k) and the elastic constants C-ik in an HCP crystal in terms of the Born-von Karman (BvK) parameters. An analytical method is proposed for constructing D(k) on the basis of data about the phonon frequencies omega(i)(N) at the symmetry points of the Brillouin zone and the elastic constants C-ik . A number of relations between the values of omega(i)(N) and C-ik are presented for conventional interaction models. It is shown that the standard method for determining BvK parameters by fitting them to experimental phonon spectra in HCP lattices is, as a rule, ambiguous, whereas the analytical method proposed allows one to find all the solutions of the problem. The methods developed are illustrated by the construction of dynamical matrices for Tb, Sc, Ti, and Co.
引用
收藏
页码:495 / 516
页数:22
相关论文
共 24 条
[1]   ON THE SIGNIFICANCE OF LOCAL LATTICE-DISTORTIONS FOR CONFIGURATIONAL INTERACTIONS IN SUBSTITUTIONAL ALLOYS [J].
BEIDEN, SV ;
VAKS, VG .
PHYSICS LETTERS A, 1992, 163 (03) :209-213
[2]   Strain-induced interaction of hydrogen atoms with dissolved atoms in IVA group metals [J].
Blanter, MS ;
Golovin, IS ;
Granovskiy, EB ;
Sinning, HR .
JOURNAL OF ALLOYS AND COMPOUNDS, 2002, 345 (1-2) :1-9
[3]   Strain-induced interaction of hydrogen atoms in hcp rare earth metals [J].
Blanter, MS ;
Granovskiy, EB .
JOURNAL OF ALLOYS AND COMPOUNDS, 2002, 335 (1-2) :1-8
[4]  
BORN M, 1954, DYNAMICAL THEORY CRY, pCH5
[5]   LATTICE-DYNAMICS OF ZINC - PHONON STRUCTURE FACTORS [J].
CHESSER, NJ ;
AXE, JD .
PHYSICAL REVIEW B, 1974, 9 (10) :4060-4067
[6]  
DEWAMES RE, 1965, PHYS REV A, V138, P717
[7]  
EVERY A, 1992, LANDOLTBORNSTEIN N A, V29, P105
[8]   LATTICE DYNAMICS OF HCP METALS COMPUTED FROM AN OPTIMUM-MODEL POTENTIAL [J].
GILAT, G ;
RIZZI, G ;
CUBIOTTI, G .
PHYSICAL REVIEW, 1969, 185 (03) :971-+
[9]   Anomalous lattice dynamics of ruthenium [J].
Heid, R ;
Pintschovius, L ;
Reichardt, W ;
Bohnen, KP .
PHYSICAL REVIEW B, 2000, 61 (18) :12059-12062
[10]   LATTICE DYNAMICS OF TERBIUM [J].
HOUMANN, JCG .
PHYSICAL REVIEW B, 1970, 1 (10) :3943-&