Lattice Dynamics of KAgF<sub>3</sub> Perovskite, Unique 1D Antiferromagnet

Lattice Dynamics of KAgF<sub>3</sub> Perovskite, Unique 1D Antiferromagnet

Theoretical DFT calculations using GGA+U and HSE06 frameworks enabled vibrational mode assignment and partial (atomic) phonon DOS determination in KAgF<sub>3</sub> perovskite, a low-dimensional magnetic fluoroargentate(II). Twelve bands in the spectra of KAgF<sub>3</sub> were...

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Bibliographic Details
Main Authors: Kacper Koteras, Jakub Gawraczyński, Mariana Derzsi, Zoran Mazej, Wojciech Grochala
Format: Article
Language:English
Published: MDPI AG 2021-01-01
Series:Chemistry
Subjects:
theoretical modelling
silver fluorides
infrared spectra
Raman spectra
low dimensional materials
Online Access:https://www.mdpi.com/2624-8549/3/1/7

Internet

https://www.mdpi.com/2624-8549/3/1/7

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