Designing isoelectronic counterparts to layered group V semiconductors

Abstract

In analogy to III-V compounds, which have significantly broadened the scope of group IV semiconductors, we propose IV-VI compounds as isoelectronic counterparts to layered group V semiconductors. Using {\em ab initio} density functional theory, we study yet unrealized structural phases of silicon mono-sulfide (SiS). We find the black-phosphorus-like $\alpha$-SiS to be almost equally stable as the blue-phosphorus-like $\beta$-SiS. Both $\alpha$-SiS and $\beta$-SiS monolayers display a significant, indirect band gap that depends sensitively on the in-layer strain. Unlike 2D semiconductors of group V elements with the corresponding nonplanar structure, different SiS allotropes show a strong polarization either within or normal to the layers. We find that SiS may form both lateral and vertical heterostructures with phosphorene at a very small energy penalty, offering an unprecedented tunability in structural and electronic properties of SiS-P compounds.

7 pages, 5 figures

References in corpus (4)

• Energy Band Gap Engineering of Graphene Nanoribbons
• Control of graphene's properties by reversible hydrogenation
• Semiconducting layered blue phosphorus: A computational study
• Phase coexistence and metal-insulator transition in few-layer phosphorene: A computational study

Cited by in corpus (21)

• Giant Piezoelectricity in Monolayer Group IV Monochalcogenides: SnSe, SnS, GeSe and GeS
• Electronic and optical properties of strained graphene and other strained 2D materials: a review
• Enhanced piezoelectricity and modified dielectric screening of 2-D group-IV monochalcogenides
• Colloquium: Physical properties of group-IV monochalcogenide monolayers
• Atomically thin binary V-V compound semiconductor: a first-principles study
• Exploring Phononic Properties of Two-Dimensional Materials using Machine Learning Interatomic Potentials
• Recent Advances in Two-Dimensional Metal Monochalcogenides
• Structural phase transition and material properties of few-layer monochalcogenides
• Two-dimensional disorder in black phosphorus and monochalcogenide monolayers
• Photostrictive two-dimensional materials in the monochalcogenide family
• As2S3, As2Se3 and As2Te3 nanosheets: Superstretchable semiconductors with anisotropic carrier mobilities and optical properties
• Electronic and magnetic properties of dopant atoms in SnSe monolayer: a first-principles study
• Silicon diphosphide (SiP2) and silicon diarsenide (SiAs2): Novel stable 2D semiconductors with high carrier mobilities, promising for water splitting photocatalysts
• Group-IV monochalcogenide monolayers: two-dimensional ferroelectrics with weak intra-layer bonds and a phosphorene-like monolayer dissociation energy
• An Array of Layers in Silicon Sulfides: Chain-like and Ground State Structures
• Carbon Monosulfide Nanostructures: Chains Arrays, Monolayers, and Thin Films
• Low-symmetry two-dimensional BNP${}_2$ and C${}_2$SiS structures with high and anisotropic carrier mobilities
• Highly anisotropic thermoelectric properties of carbon sulfide monolayers
• Energy, phonon, and dynamic stability criteria of 2d materials
• Investigations on Cmc2${}_1$-Si${}_2$P${}_2$X structures and physical properties by first-principles calculations
• Optical Anisotropy in Tellurene and its Janus Allotropes -- A first principle Study