Magneto transport and first principle study of strong topological insulator gray Arsenic

N. K. Karn, Kapil Kumar, Geet Awana, Kunal Yadav, S. Patnaik, V. P. S. Awana
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Abstract

In this article, we report the synthesis of a single crystalline gray Arsenic (As) via the Bismuth flux method. The as-grown sample has a Rhombohedral structure as the most stable one. Its XRD (X-ray Diffractometry) pattern ensures a single phase of the grown crystal with space group R-3m. The observed sharp XRD peaks on mechanically exfoliated thin flakes ensured the high crystallinity with growth direction along the c-axis. The EDAX (Energy Dispersive X-ray Analysis) endorses the stoichiometric purity of the as-grown As single crystal. To study the vibrational mode, the Raman spectra are recorded, which show peaks at 196.2 cm-1 and 255.74 cm-1, identified as Eg and A1g modes by DFT calculations. The sample is further characterized by electronic and magneto-transport measurements. The resistivity vs temperature measurement illustrates its metallic nature in the temperature range of 2K to 300K. The measured residual resistivity ratio of the sample is 180, which endorses the high quality of the as-synthesized As single crystal. The RH measurement elucidates huge observed magnetoresistance (MR), along with SdH oscillations, which indicate the presence of topological surface states. The topological nature of As is also confirmed by first principle calculations. Not only orbit projected bands show signatures of band inversion but also the Z2invariant value(1,111) calculated by Wilson loop method affirms As to be a strong topological insulator (TI).
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强拓扑绝缘体灰砷的磁传输和第一原理研究
在本文中,我们报告了通过铋通量法合成单晶灰色砷(As)的过程。生长后的样品具有最稳定的斜方晶体结构。其 XRD(X 射线衍射测量法)图样显示生长出的晶体为单相,空间群为 R-3m。在机械剥离薄片上观察到的尖锐 XRD 峰确保了沿 c 轴生长方向的高结晶度。能量色散 X 射线分析(EDAX)证实了所生长的砷单晶的化学纯度。为了研究振动模式,记录了拉曼光谱,其中在 196.2 cm-1 和 255.74 cm-1 处出现了峰值,通过 DFT 计算确定为 Eg 和 A1g 模式。通过电子和磁传输测量进一步确定了样品的特性。电阻率与温度的关系测量说明了它在 2K 至 300K 温度范围内的金属性质。测得的样品残余电阻率比为 180,这表明合成的 As 单晶质量很高。剩余电阻率测量结果阐明了所观察到的巨大磁阻(MR)以及 SdHoscillations,这表明存在拓扑表面态。第一原理计算也证实了 As 的拓扑性质。不仅轨道投影带显示了带反转的特征,而且用威尔逊环方法计算出的 Z2 不变值(1,111)也证实了 As 是一种强拓扑绝缘体(TI)。
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