论文标题
NBVTIAL中磁化磁化强度的淬火：理论和实验
Disorder-mediated quenching of magnetization in NbVTiAl: Theory and Experiment
论文作者
论文摘要
在本文中，我们介绍了等准季学合金NBVtial的结构，电子，磁性和转运性能。 X射线衍射（XRD）数据中的（111）和（200）峰的不存在证实了A2型结构。磁化测量表明，咖喱温度高，并且磁矩很小（$ \ sim 10^{ - 3}μ_b/f.u. $）这些观察结果表明合金中有完全补偿的铁磁性。温度依赖性电阻率表示金属性质。完全有序的NBVTIAL结构的Ab-Initio计算确认了近一半的金属行为，具有高自旋极化（$ \ sim $ 90 \％），净磁矩为0.8 $μ_b/f.u. $（与实验观察完全相反）。本文的主要目的之一是解决和解释基于V的基于V的Quaternary Heusler Alloys磁化的理论预测与实验观察之间的长期差异。为了获得深入的理解，我们对各种无序状态进行了建模及其对磁性和电子特性的影响。差异归因于系统中存在的A2疾病，如我们的XRD数据所证实。疾病的存在还会导致有限状态在费米水平上的出现，这会影响系统的自旋极化。
In this paper, we present the structural, electronic, magnetic and transport properties of a equiatomic quaternary alloy NbVTiAl. The absence of (111) and (200) peaks in X-ray diffraction (XRD) data confirms the A2-type structure. Magnetization measurements indicate a high Curie temperature and a negligibly small magnetic moment ($\sim 10^{-3} μ_B/f.u.$) These observations are indicative of fully compensated ferrimagnetism in the alloy. Temperature-dependent resistivity indicates metallic nature. Ab-initio calculation of fully ordered NbVTiAl structure confirms a nearly half metallic behavior with a high spin polarization ($\sim$ 90 \%) and a net magnetic moment of 0.8 $μ_B/f.u.$ (in complete contrast to the experimental observation). One of the main objective of the present paper is to resolve and explain the long-standing discrepancy between theoretical prediction and experimental observation of magnetization for V-based quaternary Heusler alloys, in general. To gain an in-depth understanding, we modelled various disordered states and its subsequent effect on the magnetic and electronic properties. The discrepancy is attributed to the A2 disorder present in the system, as confirmed by our XRD data. The presence of disorder also causes the emergence of finite states at the Fermi level, which impacts the spin polarization of the system.
