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

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