Ab initio study of the effect of thickness and epitaxial strain on the magnetic structure of NiMn freestanding films |
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Authors: | Masoud Rahbar Niazi Sohrab Sanjabi Yousef Jamali |
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Affiliation: | 1. Department of Materials Engineering, Tarbiat Modares University, P. O. Box 14115-143, Tehran, Iran;2. Department of Applied Mathematics, Tarbiat Modares University, Tehran, Iran |
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Abstract: | The magnetic properties of tetragonal structure of stoichiometric NiMn alloy is investigated using density functional theory within the local spin density approximation. The system studied here, is a free standing film. The effect of thickness and epitaxial strain on the magnetic and structural properties is examined. It is found that while the magnetic moments of Mn surface atoms vary depending on the number of layers being odd (3.60 ) or even (3.55 ) the magnitude of the magnetic moment for surface Ni atoms is constant (0.11 ). By applying epitaxial strain on the slabs, it was observed, for the first time, that the magnetic phase of NiMn films changes from “A-type-like” ferrimagnetic for compressive strains to “G-type-like” ferrimagnetic for tensile strains. |
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Keywords: | NiMn alloy Free standing film Epitaxial strain Thickness effect First principles calculations Exchange biased systems |
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