Journal article icon

Journal article

Anomalous lattice dynamics in AgC4N3: Insights From inelastic neutron scattering and density functional calculations

Abstract:

We have performed temperature dependent inelastic neutron scattering measurements to study the anharmonicity of phonon spectra of AgC4N3. The analysis and interpretation of the experimental spectra is done using ab-initio lattice dynamics calculations. The calculated phonon spectrum over the entire Brillouin zone is used to derive linear thermal expansion coefficients. The effect of van der Waals interaction on structure stability has been investigated using advanced density functional method...

Expand abstract
Publication status:
Published
Peer review status:
Peer reviewed

Actions


Access Document


Files:
Publisher copy:
10.3389/fchem.2018.00544

Authors


Publisher:
Frontiers Media Publisher's website
Journal:
Frontiers in Chemistry Journal website
Volume:
6
Article number:
544
Publication date:
2018-11-12
Acceptance date:
2018-10-19
DOI:
EISSN:
2296-2646
Source identifiers:
945225
Keywords:
Pubs id:
pubs:945225
UUID:
uuid:dd4a97d5-9984-44b3-859c-00d654ef1ace
Local pid:
pubs:945225
Deposit date:
2018-11-26

Terms of use


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