Publications de Marco Gibertini

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

Massimiliano Stengel, Nicola Marzari, Marco Gibertini, Samuel Poncé

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

Electronic Structure of Few-Layer Black Phosphorus from & mu;-ARPES

Christophe Berthod, Nicola Marzari, Marco Gibertini, Samuel Poncé

Black phosphorus (BP) stands out among two-dimensional(2D) semiconductorsbecause of its high mobility and thickness dependent direct band gap.However, the quasiparticle band structure of ultrathin BP has remainedinaccessible to experiment thus far. Here we ...

AMER CHEMICAL SOC2023

Expansion of the Materials Cloud 2D Database

Nicolas Frank Mounet, Nicola Marzari, Giovanni Pizzi, Marco Gibertini, Davide Campi

Two-dimensional(2D) materials are among the most promising candidatesfor beyond-silicon electronic, optoelectronic, and quantum computingapplications. Recently, their recognized importance sparked a pushto discover and characterize novel 2D materials. With ...

AMER CHEMICAL SOC2023

Twist-resilient and robust ferroelectric quantum spin Hall insulators driven by van der Waals interactions

Marco Gibertini, Antimo Marrazzo

Quantum spin Hall insulators (QSHI) have been proposed to power several applications, many of which rely on the possibility to switch on and off the non-trivial topology. Typically this control is achieved through strain or electric fields, which require e ...

NATURE PORTFOLIO2022

Shear and Breathing Modes of Layered Materials

Nicola Marzari, Giovanni Pizzi, Marco Gibertini

Layered materials (LMs), such as graphite, hexagonal boron nitride, and transition-metal dichalcogenides, are at the center of an ever-increasing research effort, due to their scientific and technological relevance. Raman and infrared spectroscopies are ac ...

AMER CHEMICAL SOC2021

Profiling novel high-conductivity 2D semiconductors

Nicola Marzari, Marco Gibertini, Thibault Daniel Pierre Sohier

When complex mechanisms are involved, pinpointing high-performance materials within large databases is a major challenge in materials discovery. We focus here on phonon-limited conductivities, and study 2D semiconductors doped by field effects. Using state ...

IOP PUBLISHING LTD2021

Wannier90 as a community code: new features and applications

Nicola Marzari, Giovanni Pizzi, Marco Gibertini, Lorenzo Paulatto, Hyungjun Lee, Daniel John Gilles Marchand, Antimo Marrazzo, Samuel Poncé, Junfeng Qiao

Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electronic-structure codes thanks to its independence from the basis sets representi ...

2020

Intrinsic edge excitons in two-dimensional MoS2

Nicola Marzari, Marco Gibertini, Andrea Ferretti

Using accurate first-principles calculations based on many-body perturbation theory, we predict that two-dimensional MoS2 hosts edge excitons with universal character, intrinsic to the existence of edges and lying well below the onset of bulk features. The ...

AMER PHYSICAL SOC2020

Low-temperature monoclinic layer stacking in atomically thin CrI3 crystals

Marco Gibertini, Zhe Wang

Chromium triiodide, CrI3, is emerging as a promising magnetic two-dimensional semiconductor where spins are ferromagnetically aligned within a single layer. Potential applications in spintronics arise from an antiferromagnetic ordering between adjacent lay ...

2020

Persistence of Magnetism in Atomically Thin MnPS3 Crystals

Marco Gibertini, Dumitru Dumcenco, Zhe Wang

The magnetic state of atomically thin semiconducting layered antiferromagnets such as CrI3 and CrCI3 can be probed by forming tunnel barriers and measuring their resistance as a function of magnetic field (H) and temperature (T). This is possible because t ...

AMER CHEMICAL 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

Emergent dual topology in the three-dimensional Kane-Mele Pt2HgSe3

Nicola Marzari, Marco Gibertini, Antimo Marrazzo

Recently, the very first large-gap Kane-Mele quantum spin Hall insulator was predicted to be monolayer jacutingaite (Pt2HgSe3), a naturally occurring exfoliable mineral discovered in Brazil in 2008. The stacking of quantum spin Hall monolayers into a van-d ...

AMER PHYSICAL SOC2020

Multi-frequency Shubnikov-de Haas oscillations in topological semimetal Pt2HgSe3

Marco Gibertini

Monolayer jacutingaite (Pt2HgSe3) has been recently identified as a candidate quantum spin Hall system with a 0.5 eV band gap, but no transport measurements have been performed so far on this material, neither in monolayer nor in the bulk. By using a dedic ...

IOP PUBLISHING LTD2020

Probing magnetism in 2D materials at the nanoscale with single-spin microscopy

Marco Gibertini, Zheng Wang

The discovery of ferromagnetism in two-dimensional (2D) van der Waals (vdW) crystals has generated widespread interest. Making further progress in this area requires quantitative knowledge of the magnetic properties of vdW magnets at the nanoscale. We used ...

American Association for the Advancement of Science2019

Enhanced Electron-Phonon Interaction in Multivalley Materials

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

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 ...

American Physical Society2019

Valley-Engineering Mobilities in Two-Dimensional Materials

Nicola Marzari, Giovanni Pizzi, Marco Gibertini, Thibault Daniel Pierre Sohier, Davide Campi

Two-dimensional materials are emerging as a promising platform for ultrathin channels in field-effect transistors. To this aim, novel high-mobility semiconductors need to be found or engineered. Although extrinsic mechanisms can in general be minimized by ...

AMER CHEMICAL SOC2019

Determining the phase diagram of atomically thin layered antiferromagnet CrCl3

Marco Gibertini, Dumitru Dumcenco, Zhe Wang

Changes in the spin configuration of atomically thin, magnetic van der Waals multilayers can cause drastic modifications in their opto-electronic properties. Conversely, the opto-electronic response of these systems provides information about the magnetic ...

Nature Publishing Group2019

Magnetic 2D materials and heterostructures

Marco Gibertini

The family of two-dimensional (2D) materials grows day by day, hugely expanding the scope of possible phenomena to be explored in two dimensions, as well as the possible van der Waals (vdW) heterostructures that one can create. Such 2D materials currently ...

Nature Publishing Group2019

Relative Abundance of Z(2) Topological Order in Exfoliable Two-Dimensional Insulators

Nicolas Frank Mounet, Nicola Marzari, Marco Gibertini, Antimo Marrazzo, Davide Campi

Quantum spin Hall insulators make up a class of two-dimensional materials with a finite electronic band gap in the bulk and gapless helical edge states. In the presence of time-reversal symmetry, Z(2) topological order distinguishes the topological phase f ...

AMER CHEMICAL SOC2019

Prediction of a Large-Gap and Switchable Kane-Mele Quantum Spin Hall Insulator

Nicolas Frank Mounet, Nicola Marzari, Marco Gibertini, Antimo Marrazzo, Davide Campi

2018