A Review of Density Functional Models for the Description of Fe(II) Spin-Crossover Complexes

Spin-crossover (SCO) materials have for more than 30 years stood out for their vast application potential in memory, sensing and display devices. To reach magnetic multistability conditions, the high-spin (HS) and low-spin (LS) states have to be carefully balanced by ligand field stabilization and s...

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Bibliographic Details
Main Authors: Anton Römer, Lukas Hasecke, Peter Blöchl, Ricardo A. Mata
Format: Article
Language:English
Published: MDPI AG 2020-11-01
Series:Molecules
Subjects:
DFT
Online Access:https://www.mdpi.com/1420-3049/25/21/5176