Magnetism in Fe/V superlattices and alloys |
| |
| Affiliation: | 1. Beijing Advanced Innovation Center of Materials Genome Engineering, State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083, China;2. Key Laboratory for Advanced Materials Processing (MOE), Institute for Advanced Materials and Technology, University of Science and Technology Beijing, Beijing 100083, China;3. Beijing Laboratory of Metallic Materials and Processing for Modern Transportation, Institute for Advanced Materials and Technology, University of Science and Technology Beijing, Beijing 100083, China;4. Beijing Advanced Innovation Center for Materials Genome Engineering, University of Science and Technology Beijing, Beijing 100083, China;5. Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN 37996, United States;1. Department of Materials Science and Engineering, KTH Royal Institute of Technology, SE-100 44 Stockholm, Sweden;2. College of Materials and Environmental Engineering, Hangzhou Dianzi University, Hangzhou 310018, China;1. School of Materials Science and Engineering, Hebei University of Science and Technology, Shijiazhuang, Hebei 050018, China;2. Beijing Institute of Radio Measurement, Beijing 100084, China;3. State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083, China |
| |
| Abstract: | The first principles discrete variational Xα method was used to calculate the electronic structures, magnetic moments and the conduction electron contact spin densites at a central V site in a number of 15 atom clusters representing [110]-interfaces in Fe/V superlattices and alloys. It was found that interactions between the spin-up and spin-down 3d electrons behave differently as the number of Fe atoms, P, in the first coordination shell of a central V atom changes. The 3d magnetic moments at the V sites were found to vary strongly with P, and their variation with respect to changes in the number of Fe atoms in the second shell, Q, was found to depend on P. The sign of 4s and 4p moments was found to change from positive to negative as the average 3d magnetic moment per atom at the first shell sites goes from negative to positive. The conduction electron contact spin densities follow the pattern of the 4s moment as P varies. The results of previously calculated Fe-centered and the present V-centered clusters are combined to study the average magnetic moment in iron-vanadium superlattices and alloys. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
