Phonon dispersion and density of states of solid C<inf>60</inf>

Jin Yu; Rajiv K. Kalia; Priya Vashishta

doi:10.1063/1.110232

Phonon dispersion and density of states of solid C<inf>60</inf>

Jin Yu
, Rajiv K. Kalia
, Priya Vashishta

Research output: Contribution to journal › Article › peer-review

22 Scopus citations

Abstract

Dispersion and density of states (DOS) of inter- and intramolecular phonons are calculated for solid C60 using a tight-binding molecular dynamics method. Intermolecular phonon DOS extends up to 7.6 meV and shows libron peaks at 2.3 and 3.7 meV. Orientational disorder softens libron modes. Intramolecular phonons below 70 meV also show significant dispersion. The calculated phonon spectra are in good agreement with inelastic neutron scattering experiments.

Original language	English
Pages (from-to)	3152-3154
Number of pages	3
Journal	Applied Physics Letters
Volume	63
Issue number	23
DOIs	https://doi.org/10.1063/1.110232
State	Published - Dec 1 1993
Externally published	Yes

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10.1063/1.110232

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@article{cb6035defde14536b2208a04bd157b08,

title = "Phonon dispersion and density of states of solid C60",

abstract = "Dispersion and density of states (DOS) of inter- and intramolecular phonons are calculated for solid C60 using a tight-binding molecular dynamics method. Intermolecular phonon DOS extends up to 7.6 meV and shows libron peaks at 2.3 and 3.7 meV. Orientational disorder softens libron modes. Intramolecular phonons below 70 meV also show significant dispersion. The calculated phonon spectra are in good agreement with inelastic neutron scattering experiments.",

author = "Jin Yu and Kalia, \{Rajiv K.\} and Priya Vashishta",

year = "1993",

month = dec,

day = "1",

doi = "10.1063/1.110232",

language = "English",

volume = "63",

pages = "3152--3154",

journal = "Applied Physics Letters",

issn = "0003-6951",

publisher = "American Institute of Physics",

number = "23",

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TY - JOUR

T1 - Phonon dispersion and density of states of solid C60

AU - Yu, Jin

AU - Kalia, Rajiv K.

AU - Vashishta, Priya

PY - 1993/12/1

Y1 - 1993/12/1

N2 - Dispersion and density of states (DOS) of inter- and intramolecular phonons are calculated for solid C60 using a tight-binding molecular dynamics method. Intermolecular phonon DOS extends up to 7.6 meV and shows libron peaks at 2.3 and 3.7 meV. Orientational disorder softens libron modes. Intramolecular phonons below 70 meV also show significant dispersion. The calculated phonon spectra are in good agreement with inelastic neutron scattering experiments.

AB - Dispersion and density of states (DOS) of inter- and intramolecular phonons are calculated for solid C60 using a tight-binding molecular dynamics method. Intermolecular phonon DOS extends up to 7.6 meV and shows libron peaks at 2.3 and 3.7 meV. Orientational disorder softens libron modes. Intramolecular phonons below 70 meV also show significant dispersion. The calculated phonon spectra are in good agreement with inelastic neutron scattering experiments.

UR - https://www.scopus.com/pages/publications/0004357161

U2 - 10.1063/1.110232

DO - 10.1063/1.110232

M3 - Article

SN - 0003-6951

VL - 63

SP - 3152

EP - 3154

JO - Applied Physics Letters

JF - Applied Physics Letters

IS - 23

ER -

Phonon dispersion and density of states of solid C<inf>60</inf>

Abstract

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