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Infrared-active phonons in one-dimensional materials and their spectroscopic signatures

Nicola Marzari, Norma Rivano, Thibault Daniel Pierre Sohier

Dimensionality provides a clear fingerprint on the dispersion of infrared-active, polar-optical phonons. For these phonons, the local dipoles parametrized by the Born effective charges drive the LO-TO splitting of bulk materials; this splitting actually br ...

Nature Portfolio2023

Atomic-scale Characterization of Strain and Gate effects on Two-dimensional Materials by Scanning Tunneling Microscopy

Jz -Yuan Juo

Strain is an inevitable phenomenon in two-dimensional (2D) material, regardless of whether the film is suspended or supported. Moreover, strain is known to alter the physical and chemical properties, such as the band gap, charge carrier effective masses, d ...

EPFL2023

Long-range electrostatic contribution to electron-phonon couplings and mobilities of two-dimensional and bulk materials

Nicola Marzari, Marco Gibertini, Samuel Poncé, Massimiliano Stengel

Charge transport plays a crucial role in manifold potential applications of two-dimensional materials, in-cluding field-effect transistors, solar cells, and transparent conductors. At most operating temperatures, charge transport is hindered by scattering ...

AMER PHYSICAL SOC2023

Topological Effects in Carbon-based Two-dimensional Nanostructures

Yifei Guan

Recent advances on low-dimensional and topological materials has greatly inspired the research in condensed matter physics. This thesis is devoted to the computational and theoretical study of topological effects in two-dimensional materials, especially na ...

EPFL2023

Resonant Transducers Consisting of Graphene Ribbons with Attached Proof Masses for NEMS Sensors

Luis Guillermo Villanueva Torrijo, Daniel Moreno Garcia

The unique mechanical and electrical properties of graphene make it an exciting material for nanoelectromechanical systems (NEMS). NEMS resonators with graphene springs facilitate studies of graphene's fundamental material characteristics and thus enable i ...

Amer Chemical Soc2023

Selective Growth of van der Waals Heterostructures Enabled by Electron-Beam Irradiation

Aleksandra Radenovic, Michal Daniel Macha

Van der Waals heterostructures (vdWHSs) enable the fabricationof complex electronic devices based on two-dimensional (2D) materials.Ideally, these vdWHSs should be fabricated in a scalable and repeatableway and only in the specific areas of the substrate t ...

AMER CHEMICAL SOC2023

In-situ atomic level observation of the strain response of graphene lattice

Klaus Kern, Jz -Yuan Juo

Strain is inevitable in two-dimensional (2D) materials, regardless of whether the film is suspended or supported. However, the direct measurement of strain response at the atomic scale is challenging due to the difficulties of maintaining both flexibility ...

Nature Portfolio2023

Micromechanics of oxide inclusions in ferrous alloys

Alejandra Inés Slagter

Oxide inclusions are inevitably present in steel as a direct consequence of the steelmaking process; as a result, a cubic centimetre of modern steel will generally contain about a million of these hard and brittle micrometre-sized ceramic particles. Inclus ...

EPFL2023

Mechanistic study on the evolution of vacancies in graphene by oxidation by scanning tunneling microscopy

Shaoxian Li

Nanostructured graphitic materials, including graphene hosting Å to nanometer-sized pores, have attracted attention for various applications such as separations, sensors, and energy storage. Graphene with Å-scale pores is a promising next-generation materi ...

EPFL2023

Spectral and thermodynamic properties of interacting electrons with dynamical functionals

Tommaso Chiarotti

Empowered by ever-increasing computational power and algorithmic developments, electronic-structure simulations continue to drive research and innovation in materials science. In this context, ab-initio calculations offer an unbiased platform for the under ...

EPFL2023

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