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Modification of the van der Waals interaction at the Bi2 Te3 and Ge(111) interface

DOI: 10.1103/PhysRevMaterials.5.024203 DOI Help

Authors: Kenji Nawa (National Institute for Materials Science (NIMS); Mie University) , Demie Kepaptsoglou (University of York; SuperSTEM Laboratory) , Arsham Ghasemi (University of York) , Philip Hasnip (University of York) , Guillermo Bárcena-González (University of Cádiz) , Giuseppe Nicotra (CNR-IMM) , Pedro L. Galindo (University of Cádiz) , Quentin M. Ramasse (SuperSTEM Laboratory; University of Leeds) , Kohji Nakamura (Mie University) , Susannah C. Speller (University of Oxford) , Balati Kuerbanjiang (University of Oxford) , Thorsten Hesjedal (University of Oxford) , Vlado K. Lazarov (University of York)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Review Materials , VOL 5

State: Published (Approved)
Published: February 2021

Abstract: We present a structural and density-functional theory study of the interface of the quasi-twin-free grown three-dimensional topological insulator Bi 2 Te 3 on Ge(111). Aberration-corrected scanning transmission electron microscopy and electron energy-loss spectroscopy in combination with first-principles calculations show that the weak van der Waals adhesion between the Bi 2 Te 3 quintuple layer and Ge can be overcome by forming an additional Te layer at their interface. The first-principles calculations of the formation energy of the additional Te layer show it to be energetically favorable as a result of the strong hybridization between the Te and Ge.

Journal Keywords: Electronic structure; First-principles calculations; Interface & surface thermodynamics; Topological materials; Electron energy loss spectroscopy; High-resolution electron microscopy; Transmission electron microscopy

Diamond Keywords: Semiconductors

Subject Areas: Materials, Physics

Diamond Offline Facilities: Surfaces and Interfaces Laboratory
Instruments: NONE-No attached Diamond beamline

Discipline Tags:

Material Sciences Quantum Materials Physics Hard condensed matter - electronic properties Surfaces interfaces and thin films

Technical Tags: