Publication

Patterns and driving forces of dimensionality-dependent charge density waves in 2H-type transition metal dichalcogenides

Publications associées (29)

Nature of native atomic defects in ZrTe5 and their impact on the low-energy electronic structure

Helmuth Berger, Oleg Yazyev, Ana Akrap, Shengnan Zhang

Over the past decades, investigations of the anomalous low-energy electronic properties of ZrTe5 have reached a wide array of conclusions. An open question is the growth method's impact on the stoichiometry of ZrTe5 samples, especially given the very small ...

AMER PHYSICAL SOC2020

Theory and Computation of Hall Scattering Factor in Graphene

Feliciano Giustino, Samuel Poncé

The Hall scattering factor, r, is a key quantity for establishing carrier concentration and drift mobility from Hall measurements; in experiments, it is usually assumed to be 1. In this paper, we use a combination of analytical and ab initio modeling to de ...

AMER CHEMICAL SOC2020

Metal Soap Membranes for Gas Separation

Deepu Joseph Babu, Kumar Varoon Agrawal, Davide Campi, Qi Liu, Jian Hao

Metal soaps or metal alkanoates are metal-organic complexes held together with metal cations and the functional groups of hydrocarbon chains. They can be synthesized at a high yield by simply mixing the metal and organic sources, forming crystalline framew ...

2020

Theory of screw dislocation strengthening in random BCC alloys from dilute to "High-Entropy" alloys

William Curtin, Francesco Maresca

Random body-centered-cubic (BCC) "High Entropy" alloys are a new class of alloys, some having high strength and good ductility at room temperature and some having exceptional high-temperature strength. There are no theories of strengthening of screw disloc ...

PERGAMON-ELSEVIER SCIENCE LTD2020

Finite-size corrections of defect energy levels involving ionic polarization

Alfredo Pasquarello, Julia Anna Wiktor, Stefano Falletta

We develop a scheme for finite-size corrections of vertical transition energies and single-particle energy levels involving defect states with built-in ionic polarization in supercell calculations. The method accounts on an equal footing for the screening ...

2020

Development of a novel carboxamide-based off-on switch fluorescence sensor: Hg2+, Zn(2+)and Cd2+

Kurt Schenk

Here, the carboxamide ligandN-(thiazole-2-yl) picolinamide (L) was synthesized in an ionic liquid tetrabutylammonium bromide (TBAB) as the benign reaction medium. The sensitivity ofLtowards different metal-ions was investigated, and a comprehensive, logica ...

2020

Learning the electronic density of states in condensed matter

Michele Ceriotti, Andrea Anelli, 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 ...

AMER PHYSICAL SOC2020

Bulk and Surface Electronic Structure of the Dual-Topology Semimetal Pt2HgSe3

Nicola Marzari, Marco Gibertini, Antimo Marrazzo

We report high-resolution angle-resolved photoemission measurements on single crystals of Pt2HgSe3 grown by high-pressure synthesis. Our data reveal a gapped Dirac nodal line whose (001) projection separates the surface Brillouin zone in topological and tr ...

AMER PHYSICAL SOC2020

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

Publications associées (29)

_2

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

EPFL2019