Publications by Oleg Yazyev | EPFL Graph Search

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We investigate the dependence of band dispersion of the quantum spin Hall effect (QSHE) edge states in the Kane-Mele model on crystallographic orientation of the edges. Band structures of the one-dimensional honeycomb lattice ribbons show the presence of t ...

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 ...

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 ...

Clarifying the underlying mechanisms that govern ordering transitions in condensed matter systems is crucial for comprehending emergent properties and phenomena. While transitions are often classified as electronically driven or lattice-driven, we present ...

We study from first principles the magnetism in graphene induced by single carbon atom defects. For two types of defects considered in our study, the hydrogen chemisorption defect and the vacancy defect, the magnetism due to the defect-induced extended sta ...

Temperature-induced Lifshitz transitions have been identified in several materials. Their chemical potential shows a substantial shift with changing temperature. The common feature of these materials is the coexistence of electron and hole pockets in the v ...

Rotational correlation times of metal ion aqua complexes can be detd. from 17O NMR relaxation rates if the quadrupole coupling const. of the bound water oxygen-17 nucleus is known. The rotational correlation time is an important parameter for the efficienc ...

Grain boundaries in epitaxial graphene on the SiC(000 (1) over bar) substrate are studied using scanning tunneling microscopy and spectroscopy. All investigated small-angle grain boundaries show pronounced out-of-plane buckling induced by the strain fields ...

We study from first principles the magnetism in graphene induced by single carbon atom defects. For two types of defects considered in our study, the hydrogen chemisorption defect and the vacancy defect, the itinerant magnetism due to the defect-induced ex ...

Combining experimental and ab initio core-level photoelectron spectroscopy (periodic DFT and quantum chemistry calculations), we elucidated how ammonia molecules bond to the hydroxyls of the (H,OH)-Si(001) model surface at a temperature of 130 K. Indeed, t ...

A simple scheme for the evaluation of the core spin-polarization contribution within pseudopotential electronic structure methods is proposed. The method uses a reconstruction of the all-electron wave functions and the frozen valence spin-d. approxn. to so ...

Local inversion symmetry breaking in centrosymmetric materials can lead to large spin polarization of the electronic band structure in separate sectors of the unit cell. Here, the authors reveal such hidden spin polarisation in ZrSiTe using spin and angle ...

We propose Landau levels as a probe for the topological character of electronic bands in two-dimensional moire superlattices. We consider two configurations of twisted double bilayer graphene (TDBG) that have very similar band structures, but show differen ...

Two-dimensional systems with C2T (PT) symmetry exhibit the Euler class topology E is an element of Z in each two-band subspace realizing a fragile topology beyond the symmetry indicators. By systematically studying the energy levels of Euler insulating pha ...

Recent experimental investigations show that large-area samples of graphene tend to be polycrystalline. Physical properties of such samples are strongly affected by the presence of intrinsic topological defects of polycrystalline materials-dislocations and ...

Recent progress in the field of topological states of matter(1,2) has largely been initiated by the discovery of bismuth and antimony chalcogenide bulk topological insulators (TIs; refs 3-6), followed by closely related ternary compounds(7-16) and predicti ...

Oleg Yazyev

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Controlling edge states in the Kane-Mele model via edge chirality

Spin- and valley-polarized transport across line defects in monolayer MoS2

Controlling the Quantum Spin Hall Edge States in Two-Dimensional Transition Metal Dichalcogenides

Spectroscopic signatures and origin of hidden order in Ba2MgReO6

Magnetism induced by single-atom defects in nanographites

Transport signatures of temperature-induced chemical potential shift and Lifshitz transition in layered type-II Weyl semimetal TaIrTe4

17O nuclear quadrupole coupling constants of water bound to a metal ion: A gadolinium(III) case study

Grain Boundaries in Graphene on SiC(000(1)over-bar) Substrate

Defect-induced magnetism in graphene

Hydrogen Bonding of Ammonia with (H,OH)-Si(001) Revealed by Experimental and Ab Initio Photoelectron Spectroscopy

Core spin-polarization correction in pseudopotential-based electronic structure calculations

Quantum Chemical Investigation of Hyperfine Coupling Constants on First Coordination Sphere Water Molecule of Gadolinium(III) Aqua Complexes

Reply to: Low-frequency quantum oscillations in LaRhIn5: Dirac point or nodal line?

An upside-down magnet

Hidden bulk and surface effects in the spin polarization of the nodal-line semimetal ZrSiTe

Electronic properties of incommensurately modulated novel and complex materials

Landau Levels as a Probe for Band Topology in Graphene Moire Superlattices

Landau levels of the Euler class topology

Polycrystalline graphene: Atomic structure, energetics and transport properties

A novel quasi-one-dimensional topological insulator in bismuth iodide beta-Bi4I4