Publications by Marco Gibertini

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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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

We investigate the long-wavelength dispersion of longitudinal and transverse optical phonon modes in pillar two-diinensional materials, mriltilayers, and their heterostructures. Using analytical models and density-functional perturbation theory in a two-di ...

Marco Gibertini

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Enhanced Electron-Phonon Interaction in Multivalley Materials

Valley-Engineering Mobilities in Two-Dimensional Materials

Large-Area Epitaxial Monolayer MoS2

Persistence of Magnetism in Atomically Thin MnPS3 Crystals

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

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

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

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

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

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

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

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

Shear and Breathing Modes of Layered Materials

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

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

Low-temperature monoclinic layer stacking in atomically thin CrI3 crystals

Wannier90 as a community code: new features and applications

Profiling novel high-conductivity 2D semiconductors

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

Breakdown of Optical Phonons' Splitting in Two-Dimensional Materials