2019B1515120078) and the National Natural Science Foundation of China (Grant No. This work is supported by the Guangdong Natural Science Foundation of China (Grants No. The authors declare no competing interests. This indicates that it can be photoelectric Declaration of competing interest According to the electronic band structures, the SL P2/ m-P is a much wide band gap semiconductor with an indirect band gap of 2.34 eV, which is higher than the band gap of single-layer gray arsenic. The phonon spectrum shows that it has dynamic stability. The arrangement of atoms in the zigzag and abnormal-armchair directions shows obvious anisotropy. In this paper, we analyze the structure, stability, electrical and optical properties of SL P2/ m-P. Based on the control of atomic Conclusion In this paper, SL P2/ m-P can be regarded as the directional design of crystal structure on the atomic scale, realizing the grafting and compounding of hinge structure. It is reported that the hinge structure has in-plain anisotropy in photoelectric properties. Their arrangement of atoms presents a hinged structure. The physical properties of materials mainly originate from structure, which has been proved by studies on black phosphorus and black arsenic. More interesting, due to the distinct atomic configurations, the structure of P2/ m-P shows much more remarkable optical anisotropy than the usually studied black phosphorene, which may be suitable for certain optoelectronic applications. Besides, the calculated band gap is 2.34 eV, which is higher than that of single-layer gray arsenic (2.19 eV, see in Fig.
Phosphorene phonon dispersion quantumwise free#
It is found that it is a semiconductor with wide bandgap and high thermodynamic stability at ambient condition, as well as similar free energy comparable with that of monolayer black phosphorus. In this work, the stability, electronic structure and optical properties of single-layer P2/ m phosphor (SL P2/ m-P) are calculated by first principles. Therefore, it is important to study a 2D material with high stability, wide band gap and safe preparation process. However, it is undeniable that the toxicity has always been one of the factors restricting the development of arsenic-based optoelectronic devices, especially in the process of preparing raw materials. Their band gaps are 2.49 eV and 2.28 eV, respectively (HSE calculation results), which makes them possible to develop optoelectronic devices with photoresponse in short-wavelength regime. reported two single-layer materials, arsenene and antimonene. In order to solve this problem, Zhang et al. This is also a general bottleneck for most of 2D materials reported, such as black arsenic, MoS 2, MoSe 2, WS 2, WSe 2. However, the band gap of single-layer black phosphorus is less than 2 eV, which restricts its photoelectric response in the short-wave range (blue and violet light), , ]. Very recently, ultra-large few-layer phosphorene single-crystalline domains with high quality is produced, which meets industrial requirements for future applications. Furthermore, as the prominent thermal conduction direction is orthogonal to that of electrical direction, it is possible to modulate thermal conductivity and electrical conductivity independently, which may result in enhanced thermoelectric efficiency. In particular, it has been demonstrated that mono-layer black phosphorene possesses strong anisotropy in in-plane thermal conductivity, , ], which is a novel physical phenomenon not observed in graphene. Another elemental 2D material, single-layer black phosphorus, has gained considerable research attention due to its interesting physical and chemical properties, as well as numerous applications including electronics, optoelectronics, catalysis, Li-ion battery, twistronics and thermoelectrics. However, single-layer graphene is gapless semi-metal with zero band gap, which greatly restricts the application in optoelectronic devices and photodetectors. Specifically, graphene is considered to be a revolutionary material with high carrier mobility, strong toughness and ultrahigh thermal conductivity. In recent years, there has been an explosive growth of interest in 2D materials due to their unique physical and chemical properties.