论文标题
掺杂对SGS和弱雌助力合金的半金属特性的影响
Effect of doping on SGS and weak half-metallic properties of inverse Heusler Alloys
论文作者
论文摘要
已发现具有MN和CO的Heusler合金具有有趣的电子和磁性。 Mn $ _2 $煤炭是众所周知的SGS化合物，而Mn $ _2 $ COGA的半金属特性较弱。通过使用平面波伪电势方法，我们研究了Fe和Cr掺杂对这些化合物的半金属性和磁性的影响。兴奋剂破坏了Mn $ _2 $煤的SGS性质，而小型掺杂增强了Mn $ _2 $ coga的半金属化，使其成为完美的半米。如果Mn $ _2 $煤炭，则掺杂减少了频段差距，而在MN $ _2 $ coga的频段宽度中增加。在两种情况下，当掺杂水平超出一定程度时，半金属性都被破坏。此外，我们还计算了Mn $ _2 $ coz合金的磁性行为，我们发现掺杂样品的总磁矩具有高于原始化合物的值。
Heusler alloys with Mn and Co have been found to exhibit interesting electronic and magnetic properties. Mn$_2$CoAl is well known SGS compound while Mn$_2$CoGa has weak half metallic character. By using plane wave pseudo-potential method, we studied the effect of Fe and Cr doping on half-metalicity and magnetism of these compounds. The doping destroys the SGS nature of Mn$_2$CoAl while the small-scale doping enhance the half-metallicity of Mn$_2$CoGa making it perfect half-metal. In case of Mn$_2$CoAl, the doping decrease the band gap while increase in band width is noticed for Mn$_2$CoGa. The half-metallicity is destroyed in both cases when the doping level is beyond certain degree. Moreover, we have also computed magnetic behavior of Mn$_2$CoZ alloys and we found that total magnetic moments of dopped samples have higher values than that of pristine compounds.
