Ultra-thin structures of manganese fluorides: conversion from manganese dichalcogenides by fluorination

In this study, it is predicted by density functional theory calculations that graphene-like novel ultra-thin phases of manganese fluoride crystals, that have nonlayered structures in their bulk form, can be stabilized by fluorination of manganese dichalcogenide crystals. First, it is shown that subs...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2021-05, Vol.23 (17), p.1218-1224
Hauptverfasser:	Baskurt, Mehmet, Nair, Rahul R, Peeters, Francois M, Sahin, Hasan
Format:	Artikel
Sprache:	eng
Schlagworte:	Antiferromagnetism Chalcogenides Crystal lattices Crystal structure Crystals Density functional theory Ferromagnetism Fluorides Fluorination Fluorine Graphene Manganese Mathematical analysis Optimization Vibrational spectra
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