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Oleg Yazyev

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Related publications (153)

Defects in Two Dimensional Crystals: An Ultra-high Resolution Aberration-corrected Electron Microscopy Study

Oleg Yazyev, Bo Jiang, Rolf Erni

Cambridge, Cambridge University Press2012

Probing defects and impurity-induced electronic structure changes in single and double-layer hexagonal boron nitride sheets with STEM-EELS

Oleg Yazyev

Cambridge, Cambridge University Press2012

Polycrystalline graphene: Atomic structure, energetics and transport properties

Oleg Yazyev

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 ...

Pergamon-Elsevier Science Ltd2012

Giant Ambipolar Rashba Effect in the Semiconductor BiTeI

Helmuth Berger, Philippe Bugnon, Klaus Kern, Marco Grioni, Oleg Yazyev, Luca Moreschini, Alberto Crepaldi, Simon Karl Moser, Gabriel Albert Autes, Naunidh Singh Virk, Cédric Tournier-Colletta

We observe a giant spin-orbit splitting in the bulk and surface states of the noncentrosymmetric semiconductor BiTeI. We show that the Fermi level can be placed in the valence or in the conduction band by controlling the surface termination. In both cases, ...

Amer Physical Soc2012

Subangstrom Edge Relaxations Probed by Electron Microscopy in Hexagonal Boron Nitride

Oleg Yazyev

Theoretical research on the two-dimensional crystal structure of hexagonal boron nitride (h-BN) has suggested that the physical properties of h-BN can be tailored for a wealth of applications by controlling the atomic structure of the membrane edges. Unexp ...

Amer Physical Soc2012

Quasiparticle effects in the bulk and surface-state bands of Bi2Se3 and Bi2Te3 topological insulators

Oleg Yazyev

We investigate the bulk band structures and the surface states of Bi2Se3 and Bi2Te3 topological insulators using first-principles many-body perturbation theory based on the GW approximation. The quasiparticle self-energy corrections introduce significant c ...

2012

Muons Probe Strong Hydrogen Interactions with Defective Graphene

Oleg Yazyev

Here, we present the first muon spectroscopy investigation of graphene, focused on chemically produced, gram-scale samples, appropriate to the large muon penetration depth. We have observed an evident muon spin precession, usually the fingerprint of magnet ...

American Chemical Society (ACS)2011

Metal adatoms on graphene and hexagonal boron nitride: Towards rational design of self-assembly templates

Alfredo Pasquarello, Oleg Yazyev

Periodically corrugated epitaxial graphene and hexagonal boron nitride (h-BN) on metallic substrates are considered as perspective templates for the self-assembly of nanoparticles arrays. By using first-principles calculations, we determine binding energie ...

2010

Metal catalyst in CVD growth of carbon nanotubes: role of chemical composition

Alfredo Pasquarello, Oleg Yazyev

Using first principles methods, we systematically study the crucial steps of CVD growth of CNTs, the binding and the diffusion of the carbon feedstock as well as the nucleation of CNTs. Late transition (Ni, Pd, Pt) and coinage (Cu, Ag, Au) metal catalysts ...

American Institute of Physics2010

Scaling properties of flexible membranes from atomistic simulations: Application to graphene

Oleg Yazyev

Structure and thermodynamics of crystalline membranes are characterized by the long-wavelength behavior of the normal-normal correlation function G(q). We calculate G(q) by Monte Carlo and molecular dynamics simulations for a quasiharmonic model potential ...

2009

Topological Frustration in Graphene Nanoflakes: Magnetic Order and Spin Logic Devices

Oleg Yazyev, Efthimios Kaxiras, Sheng Meng

Magnetic order in graphene-related structures can arise from size effects or from topological frustration. We introduce a rigorous classification scheme for the types of finite graphene structures (nanoflakes) which lead to large net spin or to antiferroma ...

2009

Magnetoresistive junctions based on epitaxial graphene and hexagonal boron nitride

Alfredo Pasquarello, Oleg Yazyev

We propose monolayer epitaxial graphene and hexagonal boron nitride (h-BN) as ultimate thickness covalent spacers for magnetoresistive junctions. Using a first-principles approach, we investigate the structural, magnetic, and spin transport properties of s ...

2009

Magnetism in disordered graphene and irradiated graphite

Oleg Yazyev

The magnetic properties of disordered graphene and irradiated graphite are systematically studied using a combination of mean-field Hubbard model and first-principles calculations. By considering large-scale disordered models of graphene, I conclude that o ...

2008

Hyperfine interactions in graphene and related carbon nanostructures

Oleg Yazyev

Hyperfine interactions, magnetic interactions between the spins of electrons and nuclei, in graphene and related carbon nanostructures are studied. By using a combination of accurate first principles calculations on graphene fragments and statistical analy ...

American Chemical Society (ACS)2008

Magnetic correlations at graphene edges: Basis for novel spintronics devices

Oleg Yazyev

Magnetic zigzag edges of graphene are considered as a basis for novel spintronics devices despite the fact that no true long-range magnetic order is possible in one dimension. We study the transverse and longitudinal fluctuations of magnetic moments at zig ...

2008

Template Nanowires for Spintronics Applications: Nanomagnet Microwave Resonators Functioning in Zero Applied Magnetic Field

Jean-Philippe Ansermet, Oleg Yazyev

Low-cost spintronic devices functioning in zero applied magnetic field are required for bringing the idea of spin-based electronics into the real-world industrial applications. Here we present first microwave measurements performed on nanomagnet devices fa ...

American Chemical Society (ACS)2008

Nuclear Spin Relaxation Parameters of MRI Contrast Agents – Insight from Quantum Mechanical Calculations

Lothar Helm, Oleg Yazyev

Nuclear magnetic relaxation in the presence of paramagnetic centres has gained increasing interest in recent years partly due to its importance for contrast agents in magnetic resonance imaging. Rational design of new more efficient agents is possible as a ...

Wiley-Blackwell2008

Effect of metal elements in catalytic growth of carbon nanotubes

Alfredo Pasquarello, Oleg Yazyev

Using first-principles calculations, we model the chemical vapor deposition (CVD) growth of carbon nanotubes (CNT) on nanoparticles of late-transition (Ni, Pd, Pt) and coinage (Cu, Ag, Au) metals. The process is analyzed in terms of the binding of mono- an ...

2008

Comment on graphene nanoflakes with large spin: Broken-symmetry states

Oleg Yazyev, Efthimios Kaxiras, Sheng Meng

American Chemical Society (ACS)2008

Carbon diffusion in CVD growth of carbon nanotubes on metal nanoparticles

Alfredo Pasquarello, Oleg Yazyev

Diffusion of carbon is the crucial step in chemical vapor deposition (CVD) growth of carbon nanotubes (CNTs) On metal nanoparticles. Using first principles techniques we model the binding and diffusion of carbon atoms and dimers on late transition (Ni, Pd, ...

2008

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