Lorenzo Bastonero

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Related units (1)

Related publications (3)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

Related units (1)

Laboratory of theory and simulation of materials

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THEOS

Related publications (3)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

A photodetector based on the non-centrosymmetric 2D pseudo-binary chalcogenide MnIn2Se4

Nicola Marzari, Lorenzo Bastonero, Mouyi Weng

Due to their attractive band gap properties and van der Waals structure, 2D binary chalcogenide materials have been widely investigated in the last decade, finding applications in several fields such as catalysis, spintronics, and optoelectronics. Ternary ...

Royal Society of Chemistry2025

Automated all-functionals infrared and Raman spectra

Nicola Marzari, Lorenzo Bastonero

Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture materials' features as spectroscopic fingerprints. Nevertheless, these measurements freq ...

Nature Portfolio2024

Understanding the role of Hubbard corrections in the rhombohedral phase of BaTiO3

Nicola Marzari, Iurii Timrov, Michele Kotiuga, Lorenzo Bastonero

We present a first-principles study of the low-temperature rhombohedral phase of BaTiO3 using Hubbardcorrected density-functional theory. By employing density-functional perturbation theory, we compute the onsite Hubbard U for Ti(3d) states and the intersi ...

Amer Physical Soc2023