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

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Murunskite - a new class of functional material

The subject of the present work is discovery and in-depth characterization of a new class of functional materials. Tuning of the bond polarity and orbital occupation with a goal of establishing balance between localization and delocalization of electrons - ...

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

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Luca Binci

Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...

EPFL2023

Machine-learning the electronic density of states: electronic properties without quantum mechanics

Chiheb Ben Mahmoud

The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...

EPFL2023

Controlled Electronic and Magnetic Landscape in Self-Assembled Complex Oxide Heterostructures

Paul Muralt, Mihai Adrian Ionescu, Kanghyun Chu, Daesung Park

Complex oxide heterointerfaces contain a rich playground of novel physical properties and functionalities, which give rise to emerging technologies. Among designing and controlling the functional properties of complex oxide film heterostructures, verticall ...

Wiley-V C H Verlag Gmbh2023

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

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Justin Villard

Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...

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

Ultralong 100 ns spin relaxation time in graphite at room temperature

László Forró, Bálint Náfrádi, Péter Szirmai, Bence Gábor Márkus

Graphite has been intensively studied, yet its electron spins dynamics remains an unresolved problem even 70 years after the first experiments. The central quantities, the longitudinal (T-1) and transverse (T-2) relaxation times were postulated to be equal ...

Nature Portfolio2023

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

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

Valence Orbitals Driving the Spin Dynamics in a Rare-Earth Single-Atom Magnet

Harald Brune, François Patthey, Stefano Rusponi, Marina Pivetta, Dante Philippe Sblendorio, Alberto Curcella

We combine spin-polarized scanning tunneling microscopy with quantum master equation analysis to investigate the spin dynamics of the single atom magnet Dy on graphene/Ir(111). By performing reading and writing experiments, we show that the strongly spin p ...

AMER PHYSICAL SOC2023

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