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Cari tutti,

vi ricordiamo l'incontro SMeet di venerdi` 22 novembre 2024 alle ore 11:30, IN PRESENZA in aula Campisano, sede CNR-IMM.
Il meeting prevede:

*Titolo: Pressure-Induced Phase Transitions and Electronic Impact of Extended Defects in Germanium and Silicon

*Speaker: Prof. Emilio Scalise (Università degli Studi di Milano-Bicocca)

Abstract:
Silicon (Si) and Germanium (Ge) exhibit multiple metastable phases that hold promise for advancing optoelectronic integration into Si-based technologies. Specifically, the hexagonal diamond (hd) phase of Ge possesses a direct band gap [1], making it highly desirable. These metastable phases can be synthesized from the stable diamond cubic (dc) phase through a series of pressure-induced phase transitions, as observed experimentally via nanoindentation.
Leveraging machine learning (ML) interatomic potentials, we conducted extensive Molecular Dynamics (MD) simulations of the nanoindentation process [2] (as shown in Fig. 1) to capture the atomistic mechanisms underlying these pressure-induced transitions. We developed a Ge-specific ML potential [3], revealing key nucleation events and the interplay between localized nucleation kinetics and complete phase transitions under pressure. This study extends another similar study on Si, where existing ML potentials have uncovered complex phase transformation pathways [4].

abstract completo in allegato

*Chair: Dott. A.M. Mio (CNR-IMM)

Vi aspettiamo numerosi.
Saluti.
 

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