Projekteja vuodessa
Abstrakti
Disordered elemental semiconductors, most notably a-C and a-Si, are ubiquitous in a myriad of different applications. These exploit their unique mechanical and electronic properties. In the past couple of decades, density functional theory (DFT) and other quantum mechanics-based computational simulation techniques have been successful at delivering a detailed understanding of the atomic and electronic structure of crystalline semiconductors. Unfortunately, the complex structure of disordered semiconductors sets the time and length scales required for DFT simulation of these materials out of reach. In recent years, machine learning (ML) approaches to atomistic modeling have been developed that provide an accurate approximation of the DFT potential energy surface for a small fraction of the computational time. These ML approaches have now reached maturity and are starting to deliver the first conclusive insights into some of the missing details surrounding the intricate atomic structure of disordered semiconductors. In this Topical Review we give a brief introduction to ML atomistic modeling and its application to amorphous semiconductors. We then take a look at how ML simulations have been used to improve our current understanding of the atomic structure of a-C and a-Si.
Alkuperäiskieli | Englanti |
---|---|
Artikkeli | 043001 |
Sivumäärä | 26 |
Julkaisu | Semiconductor Science and Technology |
Vuosikerta | 38 |
Numero | 4 |
Varhainen verkossa julkaisun päivämäärä | 6 maalisk. 2023 |
DOI - pysyväislinkit | |
Tila | Julkaistu - huhtik. 2023 |
OKM-julkaisutyyppi | A2 Katsausartikkeli tieteellisessä aikakauslehdessä |
Sormenjälki
Sukella tutkimusaiheisiin 'Machine learning based modeling of disordered elemental semiconductors: understanding the atomic structure of a-Si and a-C'. Ne muodostavat yhdessä ainutlaatuisen sormenjäljen.Projektit
- 1 Aktiivinen
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NEXTCELL: Next generation interatomic potentials to simulate new cellulose based materials
Caro, M. (Vastuullinen tutkija)
01/09/2020 → 31/08/2025
Projekti: Academy of Finland: Other research funding