Visualizing Orbital Content of Electronic Bands in Anisotropic 2D Semiconducting ReSe${}_2$

Abstract

Many properties of layered materials change as they are thinned from their bulk forms down to single layers, with examples including indirect-to-direct band gap transition in 2H semiconducting transition metal dichalcogenides as well as thickness-dependent changes in the valence band structure in post-transition metal monochalcogenides and black phosphorus. Here, we use angle-resolved photoemission spectroscopy to study the electronic band structure of monolayer ReSe${}_2$, a semiconductor with a distorted 1T structure and in-plane anisotropy. By changing the polarization of incoming photons, we demonstrate that for ReSe${}_2$, in contrast to the 2H materials, the out-of-plane transition metal $d_{z^2}$ and chalcogen $p_z$ orbitals do not contribute significantly to the top of the valence band which explains the reported weak changes in the electronic structure of this compound as a function of layer number. We estimate a band gap of 1.7 eV in pristine ReSe${}_2$ using scanning tunneling spectroscopy and explore the implications on the gap following surface-doping with potassium. A lower bound of 1.4 eV is estimated for the gap in the fully doped case, suggesting that doping-dependent many-body effects significantly affect the electronic properties of ReSe${}_2$. Our results, supported by density functional theory calculations, provide insight into the mechanisms behind polarization-dependent optical properties of rhenium dichalcogenides and highlight their place amongst two-dimensional crystals.

arXiv comment37 pages (including Supporting Information), 7 figures in the main text

References in corpus (42)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Atomically thin MoS2: A new direct-gap semiconductor
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• 2D materials and van der Waals heterostructures
• Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit
• Discovery of intrinsic ferromagnetism in 2D van der Waals crystals
• High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus
• Angle-resolved photoemission spectroscopy of the cuprate superconductors
• New Perspectives for Rashba Spin-Orbit Coupling
• Observation of giant bandgap renormalization and excitonic effects in a monolayer transition metal dichalcogenide semiconductor
• Direct observation of the transition from indirect to direct bandgap in atomically thin epitaxial MoSe2
• High Electron Mobility, Quantum Hall Effect and Anomalous Optical Response in Atomically Thin InSe
• Measurement of the optical dielectric function of transition metal dichalcogenide monolayers: MoS2, MoSe2, WS2 and WSe2
• Broadband Linear-Dichroic Photodetector in a Black Phosphorus Vertical p-n Junction
• Evidence of Ising pairing in superconducting NbSe${}_2$ atomic layers
• Realization of Quantum Spin Hall State in Monolayer 1T'-WTe2
• The Origin of Doping in Quasi-Free Standing Graphene on Silicon Carbide
• Spin-orbit engineering in transition metal dichalcogenide alloy monolayers
• Emergence of a Metal-Insulator Transition and High Temperature Charge Density Waves in VSe2 at the Monolayer Limit
• Electronic Structure, Surface Doping, and Optical Response in Epitaxial WSe2 Thin Films
• Interlayer Interactions in Anisotropic Atomically-thin Rhenium Diselenide
• Electronic Structure of Epitaxial Single-Layer MoS${}_2$
• Single-layer MoS${}_2$ on Au(111): band gap renormalization and substrate interaction
• Carrier Plasmon Induced Nonlinear Band Gap Renormalization in Two-Dimensional Semiconductors
• Quasiparticle Band Gaps, Excitonic Effects, and Anisotropic Optical Properties of Monolayer Distorted 1-T Diamond-chain Structures
• Tunable Quasiparticle Band Gap in Few Layer GaSe/graphene Van der Waals Heterostructures
• Electronic and optical properties of two-dimensional InSe from a DFT-parameterized tight-binding model
• Giant spin-splitting and gap renormalization driven by trions in single-layer WS${}_2$/h-BN heterostructures
• Renormalization of quasiparticle band gap in doped two-dimensional materials from many-body calculations
• Indirect to direct gap crossover in two-dimensional InSe revealed by ARPES
• Optically discriminating carrier-induced quasiparticle band gap and exciton energy renormalization in monolayer MoS2
• Structure and Correlation Effects in Semiconducting SrTiO${}_3$
• Orbital- and $k_z$-selective hybridisation of Se 4p and Ti 3d states in the charge density wave phase of TiSe${}_2$
• Direct observation of the band gap transition in atomically thin ReS${}_2$
• Electronic bandstructure of ReS2 by high resolution angle resolved photoemission spectroscopy
• Narrow-band anisotropic electronic structure of ReS${}_2$
• Pressure dependence of direct optical transitions in ReS2 and ReSe2
• Electronic bandstructure and van der Waals coupling of ReSe2 revealed by high-resolution angle-resolved photoemission spectroscopy
• d0 Perovskite-Semiconductor Electronic Structure
• Electronic band structure of rhenium dichalcogenides
• The high-energy anomaly in ARPES spectra of the cuprates-many body or matrix element effect?
• Tunable Electronic Structure in Gallium Chalcogenide van der Waals Compounds

Cited by in corpus (8)

• Machine-learning-assisted analysis of transition metal dichalcogenide thin-film growth
• Ultrafast triggering of insulator-metal transition in two-dimensional VSe${}_2$
• Unusual ferromagnetic band evolution and high Curie temperature in monolayer 1T-CrTe2 on bilayer graphene
• Interplay of crystal thickness and in-plane anisotropy and evolution of quasi-one dimensional electronic character in ReSe${}_2$
• Using in-plane anisotropy to engineer Janus monolayers of rhenium dichalcogenides
• External screening and lifetime of exciton population in single-layer ReSe${}_2$ probed by time- and angle-resolved photoemission spectroscopy
• Plasmonic polaron in self-intercalated 1T-TiS2
• Electronic structure and charge-density wave transition in monolayer VS_{2}