中文摘要：

利用密度泛函理论研究了Fe,Co两种合金元素对Ni2MnGa合金（110）马氏体孪晶界面电子结构的影响.分别从界面能、偏聚能、磁矩、键序和电子态密度等角度对合金元素在界面处的掺杂效应进行了分析和比较.计算结果表明,在对界面的钉扎作用上,Co的界面掺杂效应较Fe的掺杂效应强;对于界面磁性的影响,Fe掺杂对界面磁结构的作用比Co掺杂显著.

英文摘要：

Effect of iron and cobalt on the electronic structure of （110） martensite twin boundary in Ni2MnGa alloy have been investigated by using density functional theory （DFT）, including twin boundary energy, segregation energy, magnetic moment, bend order and electronic density of states. The calculation results demonstrated that cobalt has a stronger doping effect on the twin interface than iron, and has less influence on the magnetic property of the twin boundary than the latter.