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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 ...
Given a transitive permutation group, a fundamental object for studying its higher transitivity properties is the permutation action of its isotropy subgroup. We reverse this relationship and introduce a universal construction of infinite permutation group ...
Condensed matter physics has been a continuous source of inspiration for wave physicists, due to the strong analogies between electronic propagation in solids and waves interacting with materials. Recently, in this domain, a broad field of research has eme ...
Weyl fermions are a recently discovered ingredient for correlated states of electronic matter. A key difficulty has been that real materials also contain non-Weyl quasiparticles, and disentangling the experimental signatures has proven challenging. Here we ...
Systematic and automatic calculations of the electronic band structure are a crucial component of computationally-driven high-throughput materials screening. An algorithm, for any crystal, to derive a unique description of the crystal structure together wi ...
Zirconium pentatelluride was recently reported to be a 3D Dirac semimetal, with a single conical band, located at the center of the Brillouin zone. The cone's lack of protection by the lattice symmetry immediately sparked vast discussions about the size an ...
We study the effect of antiferromagnetic longitudinal coupling on the one-dimensional transverse field Ising model with nearest-neighbor couplings. In the topological phase where, in the thermodynamic limit, the ground state is twofold degenerate, we show ...
The topology of the electron wavefunctions in certain band insulators can give rise to novel topological phases. Materials harbouring such topological phases are termed topological insulators (TI). A gapped bulk electronic spectrum, described by a topologi ...
We propose a method by which the quantization of the Hall conductance can be directly measured in the transport of a one-dimensional atomic gas. Our approach builds on two main ingredients: (1) a constriction optical potential, which generates a mesoscopic ...
The prediction of Weyl fermions in the low-temperature noncentrosymmetric 1T' phase of MoTe2 still awaits clear experimental confirmation. Here, we report angle-resolved photoemission (ARPES) data and ab initio calculations that reveal a surface state arc ...