Publications related to Electric field exfoliation and high-T-C superconductivity in field-effect hole-doped hydrogenated diamond (111)

Structural, electronic, elastic, power, and transport properties of beta-Ga2O3 from first principles

We investigate the structural, electronic, vibrational, power, and transport properties of the beta allotrope of Ga2O3 from first principles. We find phonon frequencies and elastic constants that reproduce the correct band ordering, in agreement with exper ...

AMER PHYSICAL SOC2020

Preferential out-of-plane conduction and quasi-one-dimensional electronic states in layered 1T-TaS2

László Forró, Alla Arakcheeva, Luka Ciric, Helmuth Berger, Philip Johannes Walter Moll, Ana Akrap, Andrea Pisoni, Konstantin Semeniuk

Layered transition metal dichalcogenides (TMDs) are commonly classified as quasi-two-dimensional materials, meaning that their electronic structure closely resembles that of an individual layer, which results in resistivity anisotropies reaching thousands. ...

2020

Enhanced Electron-Phonon Interaction in Multivalley Materials

Nicola Marzari, Marco Gibertini, Helmuth Berger, Thibault Daniel Pierre Sohier, Evgeniy Ponomarev

We report a combined experimental and theoretical investigation that reveals a new mechanism responsible for the enhancement of electron-phonon coupling in doped semiconductors in which multiple inequivalent valleys are simultaneously populated. Using Rama ...

AMER PHYSICAL SOC2019

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Diego José Pasquier

This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019

Unified picture of lattice instabilities in metallic transition metal dichalcogenides

Oleg Yazyev, Diego José Pasquier

Transition metal dichalcogenides (TMDs) in the 1T polymorph are subject to a rich variety of periodic lattice distortions, often referred to as charge-density waves (CDWs) when not too strong. We study from first principles the fermiology and phonon disper ...

AMER PHYSICAL SOC2019

Grain boundaries and quantum transport in monolayer MoS2

Kolyo Marinov

The growing research on two-dimensional materials reveals their exceptional physical properties and enormous potential for future applications and investigation of advanced physics phenomena. They represent the ultimate limit in terms of active channel thi ...

EPFL2018

Light-Matter Interaction in III-Nitride Waveguides: Propagating Polaritons and Optical Gain

Joachim Armand Simonne Ciers

III-nitride waveguides featuring AlInN claddings and GaN/AlGaN quantum wells (QWs) offer promising perspectives for applications in many fields of short-wavelength photonics. Thanks to their nearly lattice-matched nature, these structures exhibit an excell ...

EPFL2018

Excitonic effects in two-dimensional TiSe2 from hybrid density functional theory

Oleg Yazyev, Diego José Pasquier

Transition metal dichalcogenides (TMDs), whether in bulk or in monolayer form, exhibit a rich variety of charge-density-wave (CDW) phases and stronger periodic lattice distortions. While the actual role of nesting has been under debate, it is well understo ...

AMER PHYSICAL SOC2018

Influence of structural and electrostatic disorder on transport properties of monolayers of two-dimensional semiconductors

Dmitry Ovchinnikov

Two-dimensional (2D) materials are under intensive investigation recently due to variety of electronic properties, ranging from insulators (h-BN) to semi-metals (graphene), semiconductors (MoS2, WSe2) with wide variability of band-gap and correlated phases ...

EPFL2017

Identification of Semiconductor Defects through Constant-Fermi-Level Ab Initio Molecular Dynamics: Application to GaAs

Alfredo Pasquarello, Assil Bouzid

We show that constant-Fermi-level ab initio molecular dynamics can be used as a computer-based tool to reveal and control relevant defects in semiconductor materials. In this scheme, the Fermi level can be set at any position within the band gap during the ...

Amer Physical Soc2017

Electric field exfoliation and high-T-C superconductivity in field-effect hole-doped hydrogenated diamond (111)

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Structural, electronic, elastic, power, and transport properties of beta-Ga2O3 from first principles

Preferential out-of-plane conduction and quasi-one-dimensional electronic states in layered 1T-TaS2

Enhanced Electron-Phonon Interaction in Multivalley Materials

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Unified picture of lattice instabilities in metallic transition metal dichalcogenides

Grain boundaries and quantum transport in monolayer MoS2

Light-Matter Interaction in III-Nitride Waveguides: Propagating Polaritons and Optical Gain

Excitonic effects in two-dimensional TiSe2 from hybrid density functional theory

Influence of structural and electrostatic disorder on transport properties of monolayers of two-dimensional semiconductors

Identification of Semiconductor Defects through Constant-Fermi-Level Ab Initio Molecular Dynamics: Application to GaAs

Enhanced Electron-Phonon Interaction in Multivalley Materials

Identification of Semiconductor Defects through Constant-Fermi-Level Ab Initio Molecular Dynamics: Application to GaAs

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Grain boundaries and quantum transport in monolayer MoS2

Light-Matter Interaction in III-Nitride Waveguides: Propagating Polaritons and Optical Gain

Structural, electronic, elastic, power, and transport properties of beta-Ga2O3 from first principles

Unified picture of lattice instabilities in metallic transition metal dichalcogenides

Preferential out-of-plane conduction and quasi-one-dimensional electronic states in layered 1T-TaS2

Excitonic effects in two-dimensional TiSe2 from hybrid density functional theory

Influence of structural and electrostatic disorder on transport properties of monolayers of two-dimensional semiconductors