Prediction of a Two-dimensional Phosphorus Nitride Monolayer

Xiao, Hang; Hao, Feng; Liao, Xiangbiao; Shi, Xiaoyang; Zhang, Yayun; Chen, Xi

doi:10.48550/arxiv.1603.01957

Cited by 1 publication

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“…The most stable α monolayer presents a similar structure to that of a single layer of black phosphorus. This structure has also been reported recently for group IV monochalcogenides 23,31 , and group V semiconductors such as phosphorous-nitrogen or arsenic-nitrogen 40,41,63 . The results obtained with VASP method yield energy differences slightly larger, although the stability order is the same.…”

Section: A Monolayerssupporting

confidence: 81%

“…There are two different approaches to obtain phosphorene isoelectronic compounds, by taking elements of the group V or by mixing elements of the groups IV-VI also called group IV monochalcogenides [31][32][33][34][35][36] . The phosphorene isoelectronic compounds of the group V are nitrogene, phosphorene, arsenene [37][38][39] and antimonene 39 , and their binary compounds 40,41 .…”

Section: Introductionmentioning

confidence: 99%

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Stable carbon monosulfide nanostructures: Chain arrays and monolayers

Alonso-Lanza

Aguilera‐Granja

González

et al. 2017

Phys. Rev. Materials

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Theoretical predictions have lead to the experimental synthesis of new low dimensional layered structures. Herein we show for the very first time that compounds of carbon monosulfide exhibit a great variety of layered nanostructures, such as chains arrays, monolayers, and thin films. We find that the chains arrays are the most stable because they are mainly dimensionality-driven by the sp 2 hybridization of sulfur and carbon orbitals. Furthermore, the chains arrays are direct gap semiconductors. In contrast to thin films, the monolayers are stable at room temperature with a semiconductor phase followed in energy by a metallic phase. Then, we achieve a semiconductorto-metal phase transition in carbon sulfur monolayers, which can be driven by strain engineering controlling conductivity and carrier mobility. arXiv:1703.02756v1 [cond-mat.mtrl-sci]

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