1999/10/04 by X. Qian, Wolfgang Hübner, W. Hübner · 97 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Analytical Chemistry (journal) #Chemistry #Condensed matter physics #Crystallography #Layer (electronics) #Magnetic moment #Magnetic properties of thin films #Materials science #Moment (physics) #Monolayer #Nanotechnology #Physics #Substrate (aquarium) #Surface and Thin Film Phenomena #cond-mat.mes-hall #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.60.16192
published in Physical review. B, Condensed matter 60(23), 16192-16197 (American Physical Society)
arxiv created 1999/10/04 · openalex publication_date 1999/12/15 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
Structure optimizations were performed for 1 and 2 monolayers (ML) of Fe on a 5-ML W(110) substrate employing the all-electron full-potential linearized augmented plane-wave method. The magnetic moments were also obtained for the converged and optimized structures. We find significant contractions (\ensuremath∼10%) for both the Fe-W and the neighboring Fe-Fe interlayer spacings compared to the corresponding bulk W-W and Fe-Fe interlayer spacings. Compared to the Fe bcc bulk moment of 2.2\ensuremathμB, the magnetic moment for the surface layer of Fe is enhanced (i) by 15% to 2.54\ensuremathμB for 1 ML Fe/5 ML W(110), and (ii) by 29% to 2.84\ensuremathμB for 2 ML Fe/5 ML W(110). The inner Fe layer for 2 ML Fe/5 ML W(110) has a bulklike moment of 2.3\ensuremathμB. These results agree well with previous experimental data.