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The thesis describes the computational study of structural, electonic and transport properties of monolayer transition metal dichalcogenides (TMDs) in the stable 2H and the metastable 1T' phases. Several aspects have been covered by the study including the ...
The electronic and magnetic properties of individual Fe atoms adsorbed on the surface of the topological insulator Bi2Te3(111) are investigated. Scanning tunneling microscopy and spectroscopy prove the existence of two distinct types of Fe species, while o ...
Two-dimensional transition metal dichalcogenides (TMDs) of Mo and W in their 1T' crystalline phase host the quantum spin Hall (QSH) insulator phase. We address the electronic properties of the QSH edge states by means of first-principles calculations perfo ...
We address the ballistic transmission of charge carriers across ordered line defects in monolayer transition metal dichalcogenides. Our study reveals the presence of a transport gap driven by spin-orbit interactions, spin and valley filtering, both stemmin ...
We study the atomic scale microstructure of non-stoichiometric two-dimensional(2D) transition metal dichalcogenide MoSe2-x, by employing aberration-corrected high-resolution transmission electron microscopy. We show that a Se-deficit in single layers of Mo ...
Chalcogen vacancies are generally considered to be the most common point defects in transition metal dichalcogenide (TMD) semiconductors because of their low formation energy in vacuum and their frequent observation in transmission electron microscopy stud ...
We report the creation and manipulation of structural phase boundaries in the single-layer quantum spin Hall insulator 1T'-WSe2 by means of scanning tunneling microscope tip pulses. We observe the formation of one-dimensional interfaces between topological ...