Magnetic Energy Landscape of Dimolybdenum Tetraacetate on a Bulk Insulator Surface

The magnetic states and the magnetic anisotropy barrier of a transition metal molecular complex, dimolybdenum tetraacetate, are investigated via density functional theory (DFT). Calculations are performed in the gas phase and on a calcite (10.4) bulk insulating surface, using the Generalized-Gradien...

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Bibliographic Details
Main Authors: Matteo Cococcioni, Andrea Floris
Format: Article
Language:English
Published: MDPI AG 2021-04-01
Series:Applied Sciences
Subjects:
Online Access:https://www.mdpi.com/2076-3417/11/9/3806