First-Principles Study of Structure and Magnetism in Copper(II)-Containing Hybrid Perovskites

We report a first-principles study of hybrid organic–inorganic perovskites with formula [A]Cu(H<sub>2</sub>POO)<sub>3</sub> (A = triazolium (Trz) and guanidinium (Gua), and H<sub>2</sub>POO<sup>−</sup> = hypophosphite), and [HIm]Cu(HCO<sub>2</...

Full description

Bibliographic Details
Main Authors: João N. Gonçalves, Anthony E. Phillips, Wei Li, Alessandro Stroppa
Format: Article
Language:English
Published: MDPI AG 2020-12-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/10/12/1129