摘要
The effect of Co substitution on magnetic properties of Ni-Mn-Sn shape memory alloy was revealed by first-principles calculations. Large magnetization difference in Ni-Mn-Sn alloy obtained by addition of Co arises from enhancement of magnetization of austenite due to change of Mn-Mn interaction from anti-ferromagnetism to ferromagnetism. Total energy difference between paramagnetic and ferromagnetic austenite plays an important role in magnetic transition of Ni-Co-Mn-Sn. The altered Mn 3d states due to Co substitution give rise to difference in magnetic properties.
采用第一性原理计算揭示了Co掺杂对Ni-Mn-Sn形状记忆合金磁性质的影响。结果表明,掺杂Co使Ni-Mn-Sn合金中两相饱和磁化强度差增大的原因在于其奥氏体的Mn-Mn磁交换作用由反铁磁性转变为铁磁性。奥氏体的顺磁态与铁磁态的能量差对Ni-Co-Mn-Sn的磁转变有重要影响。此外,Co掺杂对磁性的影响与Mn 3d态的改变有关。
基金
Project (1253-NCET-009) supported by Program for New Century Excellent Talents in Heilongjiang Provincial University,China
Project (1251G022) supported by Program for Youth Academic Backbone in Heilongjiang Provincial University,China
Projects (50901026,51301054) supported by the National Natural Science Foundation of China
