Trimer Bonding States on the Surface of Transition-metal Dichalcogenide TaTe2

Abstract

We report a comprehensive study on the surface structural and electronic properties of TaTe2 at room temperature. The surface structure was investigated using both low energy electron diffraction intensity versus voltage and density functional theory calculations. The relaxed structures obtained from the two methods are in good agreement, which is very similar to the bulk, maintaining double zigzag trimer chains. The calculated density of states indicates that such structure originates from the trimer bonding states of the Ta dxz and dxy orbitals. This work will further provide new insights towards the understanding of the charge density wave phase transition in TaTe2 at low temperature.

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Cited by in corpus (13)

• Direct Visualization of Trimerized States in 1T'-TaTe${}_2$
• Surface structure and stacking of the commensurate $\left(\sqrt{13}\times \sqrt{13}\right)$R13.9° charge density wave phase of 1T-TaS${}_2$(0001)
• Metastable polymorphic phases in monolayer TaTe2
• Optical spectroscopy and ultrafast pump-probe study of structural phase transition in 1T'-TaTe2
• Unveiling the orbital-selective electronic band reconstruction through the structural phase transition in TaTe${}_2$
• Femtosecond trimer quench cycled at megahertz rates in the unconventional charge-density wave material $1\text{T’}-{\text{TaTe}}_2$
• Comparative study of Kondo effect in Vanadium dichalcogenides VX${}_2$ (X=Se & Te)
• Electronic Landscape of Group-5 Transition Metal Ditellurides $M$Te${}_2$ ($M$ = V, Nb, Ta): Multiple Crystal Phases with Local Bonds and Flat Bands
• High-resolution MHz time- and angle-resolved photoemission spectroscopy based on a tunable vacuum ultraviolet source
• Ultrafast optical melting of trimer superstructure in layered 1T'-TaTe2
• The rich structural, electronic and bonding landscape of 1$T$-type TaTe${}_2$ single-layers
• Structures of group-15 elemental solids from an effective boundary theory
• The Laser-Diode Heated Floating Zone Method for Automated Optimal Synthesis of Refractory Oxides and Alloys