Abstract
We have performed first-principles electronic structure calculations to investigate the structural and magnetic properties of Ge(001)–Fe film systems with up to three Fe layers. In the calculations full interlayer distance optimizations of the surface systems are carried out allowing both Fe and Ge surface layers to relax. The supported Fe films are found to be ferromagnetic in the ground state, where the layer-resolved magnetic moments are increased with respect to bulk Fe values. The increase is always largest for the topmost layer and becomes smaller for the sublayers. In addition, geometry optimizations of Ge(001)–Fe with different spin orientation between the Fe layers show that parallel spin directions of neighbouring layers lead to an expanded interlayer distance, whereas antiparallel spin results in contracted interlayer spacing. The induced magnetic moments and modified density of states near interfaces are also discussed.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
