Journal article icon

Journal article

Practical methods in ab initio lattice dynamics

Abstract:

A popular method of extracting phonon frequencies from ab initio calculations is to find the equilibrium structure of a material and then build up the matrix of force constants by calculating forces acting due to small displacements of the atoms. If the range of the force constants is assumed to be short, as it typically is in parametrized froce-model calculations, the entire dispersion relation can be evaluated from data taken from small ab initio calculations. In this paper we highlight the...

Expand abstract

Actions


Access Document


Publisher copy:
10.1088/0953-8984/9/37/017

Authors


Journal:
Journal of Physics Condensed Matter
Volume:
9
Issue:
37
Pages:
7861-7872
Publication date:
1997-09-15
DOI:
ISSN:
0953-8984
URN:
uuid:6f8d8c1a-b78d-4852-bc76-69da8c9bf232
Source identifiers:
389739
Local pid:
pubs:389739
Language:
English

Terms of use


Metrics


Views and Downloads






If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP