Tas Murat, Özdoğan Kemal, Şaşıoğlu Ersoy, Galanakis Iosif
Department of Physics, Gebze Technical University, 41400 Kocaeli, Turkey.
Department of Physics, Yildiz Technical University, 34210 İstanbul, Turkey.
Materials (Basel). 2023 Dec 7;16(24):7543. doi: 10.3390/ma16247543.
We conduct ab-initio electronic structure calculations to explore a novel category of magnetic Heusler compounds, comprising solely 3d transition metal atoms and characterized by high spin magnetic moments. Specifically, we focus on Co2YZ Heusler compounds, where and represent transition metal atoms such that the order of the valence is Co > > . We show that these compounds exhibit a distinctive region of very low density of minority-spin states at the Fermi level when crystallizing in the L21 lattice structure. The existence of this pseudogap leads most of the studied compounds to a Slater-Pauling-type behavior of their total spin magnetic moment. Co2FeMn is the compound that presents the largest total spin magnetic moment in the unit cell reaching a very large value of 9 μB. Our findings suggest that these compounds are exceptionally promising materials for applications in the realms of spintronics and magnetoelectronics.
我们进行从头算电子结构计算，以探索一类新型的磁性赫斯勒化合物，这类化合物仅由3d过渡金属原子组成，并具有高自旋磁矩。具体而言，我们关注Co2YZ赫斯勒化合物，其中Y和Z代表过渡金属原子，使得价态顺序为Co > Y > Z。我们表明，当这些化合物以L21晶格结构结晶时，在费米能级处呈现出一个独特的少数自旋态密度极低的区域。这种赝能隙的存在使得大多数所研究的化合物具有斯莱特 - 泡利型的总自旋磁矩行为。Co2FeMn是在晶胞中呈现最大总自旋磁矩的化合物，达到了非常大的9 μB值。我们的研究结果表明，这些化合物在自旋电子学和磁电子学领域具有极其广阔的应用前景。
