期刊
JOURNAL OF MATERIALS SCIENCE
卷 50, 期 10, 页码 3825-3834出版社
SPRINGER
DOI: 10.1007/s10853-015-8951-y
关键词
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资金
- 863 Program of China [2015AA034101]
- National Natural Science Foundation of China [51431005, 51301036]
- 111 Program of China [B07015]
- Program for Liaoning Innovative Research Team in University [LT2013007]
- Research Fund for the Doctoral Program of Higher Education of China [20120042110021]
- Fundamental Research Funds for the Central Universities of China [N130110001, N130523001]
- Natural Science Foundation of Hebei Province [E2013501089]
We have revealed the influence of composition doping (Ni2+x Mn1-x Ga, Ni2+x MnGa1-x , and Ni2Mn1+x Ga1-x ) on lattice constants and atomic magnetic moments of austenite, 7 M and NM martensite, by ab initio calculations. It is demonstrated that Ni-doping decreases the volume, whereas Mn-doping increases it. The total magnetic moment of the three series of alloys is mainly dominated by their Mn content with little phase-state dependence. The perturbation of the magnetic moments by atom substitution is mainly dominated by the Mn environment. This study is expected to provide information on composition-related structure and magnetic properties of Ni-Mn-Ga alloys that could not be obtained by experiments.
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