Ab Initio Electronic, Magnetic, and Optical Properties of Fe Phthalocyanine on Cr₂O₃(0001)

The organic molecules adsorbed on antiferromagnetic surfaces can produce interesting interface states, characterized by charge transfer mechanisms, hybridization of molecular-substrate orbitals, as well as magnetic couplings. Here, we apply an ab initio approach to study the adsorption of Fe phthalo...

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Principais autores:	Marco Marino, Elena Molteni, Simona Achilli, Giovanni Onida, Guido Fratesi
格式:	Artigo
語言:	Inglês
出版:	MDPI AG 2024-06-01
叢編:	Molecules
主題:	organic spintronics spinterface iron phthalocyanine Cr<sub>2</sub>O<sub>3</sub>(0001) surface DFT+U optical spectroscopy
在線閱讀:	https://www.mdpi.com/1420-3049/29/12/2889
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