Work

Quantum-mechanical Modeling of the Atomic and Electron Structure of Re6se8cl2 Phases

Year: 2024

Type: conference-paper

Abstract: The article describes the modeling of two-dimensional supermolecular materials using ab initio methods. It discusses the results of studies on the atomic and electronic structure of Re6Se8Cl2 in bulk and two-dimensional form. It analyzes the difference in the effective masses of electrons and holes between these two types of materials, which is important for transport in nanoelectronics.

Source: International Conference on Mathematical Modeling in Materials Science of Electronic Components (MMMSEC)

DOI: 10.29003/m4276.mmmsec-2024/117-122

Authors: Andrey Chibisov, Darya Smotrova, Anurag Srivastava

Language: English

Topic: 2D Materials and Applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: bronze

OpenAlex ID: W4403674292

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