A1 Journal article (refereed)
Ab initio lattice dynamical studies of silicon clathrate frameworks and their negative thermal expansion (2014)


Härkönen, V., & Karttunen, A. (2014). Ab initio lattice dynamical studies of silicon clathrate frameworks and their negative thermal expansion. PHYSICAL REVIEW B, 89(2). https://doi.org/10.1103/PhysRevB.89.024305


JYU authors or editors


Publication details

All authors or editors: Härkönen, Ville; Karttunen, Antti

Journal or series: PHYSICAL REVIEW B

ISSN: 1550-235X

eISSN: 1538-4489

Publication year: 2014

Volume: 89

Issue number: 2

Publisher: American Physical Society

Publication country: United States

Publication language: English

DOI: https://doi.org/10.1103/PhysRevB.89.024305

Persistent website address: http://link.aps.org/doi/10.1103/PhysRevB.89.024305

Publication open access: Openly available

Publication channel open access: Open Access channel

Publication is parallel published: http://arxiv.org/abs/1401.1153


Free keywords: negative thermal expansion; phonon dispersion; clathrate; ab initio lattice dynamics; DFTP; displacement correlation function; momentum correlation function; mean square displacement; vibrational entropy; silicon.


Contributing organizations


Ministry reporting: Yes

Reporting Year: 2014

JUFO rating: 2


Last updated on 2021-10-06 at 18:56