Publications by Marco Gibertini

Related publications (30)

Enhanced Electron-Phonon Interaction in Multivalley Materials

Helmuth Berger, Nicola Marzari, 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

Large-Area Epitaxial Monolayer MoS2

Andras Kis, Aleksandra Radenovic, Anna Fontcuberta i Morral, Philippe Gillet, Nicola Marzari, Simone Bertolazzi, Oriol López Sánchez, Daria Krasnozhon, Ming-Wei Chen, Dmitry Ovchinnikov, Marco Gibertini, Dumitru Dumcenco, Yen-Cheng Kung, Kolyo Marinov

Two-dimensional semiconductors such as MoS2 are an emerging material family with wide-ranging potential applications in electronics, optoelectronics, and energy harvesting. Large-area growth methods are needed to open the way to applications. Control over ...

Amer Chemical Soc2015

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

Strain-induced polar discontinuities in two-dimensional materials from combined first-principles and Schrodinger-Poisson simulations

Giovanni Pizzi, Marco Gibertini

The local application of mechanical stress in piezoelectric materials gives rise to boundaries across which the electric polarization changes. Polarization charges appear along such polar discontinuities and the ensuing electric fields drive a charge recon ...

Amer Physical Soc2017

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

Performance of arsenene and antimonene double-gate MOSFETs from first principles

Nicola Marzari, Giovanni Pizzi, Marco Gibertini

In the race towards high-performance ultra-scaled devices, two-dimensional materials offer an alternative paradigm thanks to their atomic thickness suppressing short-channel effects. It is thus urgent to study the most promising candidates in realistic con ...

Nature Publishing Group2016

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

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

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

Spin-resolved optical conductivity of two-dimensional group-VIB transition-metal dichalcogenides

Nicola Marzari, Marco Gibertini

We present an ab initio study of the spin-resolved optical conductivity of two-dimensional (2D) group-VIB transition-metal dichalcogenides (TMDs). We carry out fully relativistic density-functional-theory calculations combined with maximally localized Wann ...

Amer Physical Soc2014

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

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

Band-Like Electron Transport with Record-High Mobility in the TCNQ Family

Nicola Marzari, Marco Gibertini

The occurrence of extremely pronounced band-like transport with very high electron mobility in fluorinated tetracyanoquinodimethane (F2-TCNQ) single-crystal field-effect transistors is discovered. This finding identifies the Fx-TCNQ f ...

Wiley-V C H Verlag Gmbh2015

Mobility of two-dimensional materials from first principles in an accurate and automated framework

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

We present a first-principles approach to compute the transport properties of 2D materials in an accurate and automated framework. We use density-functional perturbation theory in the appropriate bidimensional setup with open-boundary conditions in the thi ...

AMER PHYSICAL SOC2018

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

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

Emergence of One-Dimensional Wires of Free Carriers in Transition-Metal-Dichalcogenide Nanostructures

Nicola Marzari, Marco Gibertini

We highlight the emergence of metallic states in two-dimensional transition-metal-dichalcogenide nanostructures nanoribbons, islands, and inversion domain boundaries as a widespread and universal phenomenon driven by the polar discontinuities occurring at ...

Amer Chemical Soc2015

Wannier90 as a community code: new features and applications

Nicola Marzari, Giovanni Pizzi, Marco Gibertini, 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