First-principle study on honeycomb fluorated-InTe monolayer with large Rashba spin splitting and direct bandgap

The new paradigm in electronics consists in realizing the seamless integration of many properties latent in nanomaterials, such as mechanical flexibility, strong spin-orbit coupling (Rashba spin splitting - RSS), and piezoelectricity. Taking cues from the pointers given on 1D ZnO nanowires [ACS Nano 2018, 12, 1811−1820], the concept can be extended to multifunctional 2D materials, which can serve as an ideal platform in next-generation electronics such as self-powered flexible piezo-spintronic device. However, a microscopically clear understanding reachable from the state-of-the-art density functional theory-based approaches is a prerequisite to advancing this research domain. Atomic-scale insights gained from meticulously performed scientific computations can firmly anchor the growth of this important research field, and that is of undeniable relevance from scientific and technological outlooks. This article reviews the scientific progress in understanding 2D materials hosting all the essential properties, i.e., flexibility, piezoelectricity, and RSS. Important 2D semiconducting monolayers that deserve a special mention, include monolayers of buckled MgX (X=S, Se, Te), CdTe, ZnTe, Janus structures of transition metal trichalcogenides, Janus tellurene and 2D perovskites. van der Waals multilayers are also built to design multifunctional materials via modulation of the stacking sequence and interlayer coupling between the constituent layers. External electric field, strain engineering and charge doping are perturbations mainly used to tune the spintronic properties. Finally, the contact properties of these monolayers are also crucial for their actual implementation in electronic devices. The nature of the contacts, Schottky/Ohmic, needs to be carefully examined first as it controls the device's performance. In this regard, the rare occurrence of Ohmic contact in graphene/MgS van der Waals hetero bilayer has been presented in this review article.

Section: Px (X = As Sb and Bi) Monolayerssupporting

confidence: 88%

Insights into selected 2D piezo Rashba semiconductors for self-powered flexible piezo spintronics: material to contact properties

Mohanta

Sarkar³

2023

“…Both materials are indirect band gap semiconductors with moderate band gaps of 1.29 and 1.75 eV, respectively. In addition to good electrical and optical properties [36][37][38][39][40], those materials also excel in elastic properties, being able to sustain considerable values of both tensile and compressive strain [36,40,41], which is already proven as very effective and convenient way to precisely tune electronic and optical properties of 2D materials [42][43][44]. Suitable for various applications in novel electronic and optoelectronic devices, research of heterostructures based on those materials is very attractive, with huge expectations for achieving new effects or enhancing desired properties of the 2D structures alone.…”

Section: Introductionmentioning

confidence: 99%

Novel wide spectrum light absorber heterostructures based on hBN/In(Ga)Te

Šolajić¹,

Pešić²

2022

Two-dimensional group III monochalcogenides have recently attracted quite attention for their wide spectrum of optical and electric properties, being promising candidates for optoelectronic and novel electrical applications. However, in their pristine form they are extremely sensitive and vulnerable to oxygen in air and need good mechanical protection and passivization. In this work we modeled and studied two newly designed van der Waals (vdW) heterostructures based on layer of hexagonal boron nitride (hBN) and GaTe or InTe monolayer. Using density functional theory, we investigate electronic and optical properties of those structures. Their moderate band gap and excellent absorption coefficient makes them ideal candidate for broad spectrum absorbers, covering all from part of IR to far UV spectrum, with particularly good absorption of UV light. The hBN layer, which can be beneficial for protection of sensitive GaTe and InTe, does not only preserve their optical properties but also enhances it by changing the band gap width and enhancing absorption in low-energy part of spectrum. Calculated binding energies prove that all three stacking types are possible to obtain experimentally, with H-top as the preferable stacking position. Moreover, it is shown that type of stacking does not affect any relevant properties and bandstructure doesn’t reveal any significant change for each stacking type.

“…Rashba SOC and Dresselhaus SOC [1,2]. Rashba SOC generally arises from the structure inversion asymmetry (SIA) at the surface or interface systems, which can be tuned by electric fields or strains [3][4][5]. This is very significative for the application of spintronic devices [6,7].…”

Section: Introductionmentioning

confidence: 99%

Electric field control of Rashba spin splitting in 2D N^IIIX^VI (N = Ga, In; X = S, Se, Te) monolayer

Wang

et al. 2020

Spin splitting of the nonmagnetic two dimensional (2D) layered N III X VI (N = Ga, In; X = S, Se, Te) monolayer is investigated based on the density functional theory. Due to the mirror symmetry, there is no Rashba spin splitting (RSS) in the freestanding NX plane. It is found that applying the external electric field perpendicular to the NX plane can result in sizable RSS around the Γ point due to the mirror symmetry breaking. The induced RSS is mainly influenced by the anions X and gradually strengthens with the increase of external electric field. The considerable RSS is observed in NTe systems. Moreover, the influence of in-plane biaxial strain on RSS is explored, and the tensile strain can enhance the RSS, especially for those bands around the Fermi level. Our theoretical investigation provides a deep insight in spin splitting behaviors in NX monolayers and agrees well with the experimental report.