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Interface-related magnetic and vibrational properties in Fe/MgO heterostructures from nuclear resonant spectroscopy and first-principles calculations
- Source :
- Phys. Rev. Materials 4, 044402 (2020)
- Publication Year :
- 2019
-
Abstract
- We combine $^{57}$Fe M\"ossbauer spectroscopy and $^{57}$Fe nuclear resonant inelastic x-ray scattering (NRIXS) in nanoscale polycrystalline [bcc-$^{57}$Fe/MgO] multilayers with various Fe layer thicknesses and layer-resolved density-functional-theory (DFT) based first-principles calculations of a (001)-oriented [Fe(8 ML)/MgO(8 ML)](001) heterostructure to unravel the interface-related atomic vibrational properties of a multilayer system. In theory and experiment, we observe consistently enhanced hyperfine magnetic fields compared to bulk which are associated with the Fe/MgO interface layers. NRIXS and DFT both reveal a strong reduction of the longitudinal acoustic (LA) phonon peak in combination with an enhancement of the low-energy vibrational density of states (VDOS) suggesting that the presence of interfaces and the associated increase in the layer-resolved magnetic moments results in drastic changes in the Fe-partial VDOS. From the experimental and calculated VDOS, vibrational thermodynamic properties have been determined as a function of Fe thickness and are found to be in excellent agreement.<br />Comment: 14 pages, 6 figures
- Subjects :
- Condensed Matter - Materials Science
Subjects
Details
- Database :
- arXiv
- Journal :
- Phys. Rev. Materials 4, 044402 (2020)
- Publication Type :
- Report
- Accession number :
- edsarx.1911.05666
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.1103/PhysRevMaterials.4.044402