How does goldene stack?

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Tác giả: Emanuel J A Dos Santos, Douglas S Galvão, Marcelo L Pereira, Luiz A Ribeiro

Ngôn ngữ: eng

Ký hiệu phân loại: 331.7 Labor by industry and occupation

Thông tin xuất bản: England : Materials horizons , 2025

Mô tả vật lý:

Bộ sưu tập: NCBI

ID: 160616

The recent synthesis of goldene, a 2D atomic monolayer of gold, has opened new avenues in exploring novel materials. However, the question of when multilayer goldene transitions into bulk gold remains unresolved. This study used density functional theory calculations to address this fundamental question. Our findings reveal that multilayer goldene retains an AA-like stacking configuration of up to six layers, with no observation of Bernal-like stacking as seen in graphene. Goldene spontaneously transitions to a bulk-like gold structure at seven layers, adopting a rhombohedral (ABC-like) stacking characteristic of bulk face-centered cubic (FCC) gold. The atomic arrangement converges entirely to the bulk gold lattice for more than ten layers. Quantum confinement significantly impacts the electronic properties, with monolayer and bulk goldene exhibiting levels with linear dispersion at the
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