Alternative Stacking Sequences in Hexagonal Boron Nitride
| Autor: | Gilbert, S Matt, Pham, Thang, Dogan, Mehmet, Oh, Sehoon, Shevitski, Brian, Schumm, Gabe, Liu, Stanley, Ercius, Peter, Aloni, Shaul, Cohen, Marvin L, Zettl, Alex |
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| Rok vydání: | 2018 |
| Předmět: |
Condensed Matter - Materials Science
Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences Materials Engineering 2D materials cond-mat.mtrl-sci chemical vapor deposition Macromolecular and Materials Chemistry Affordable and Clean Energy bernal stacking transmission electron microscopy Nanotechnology hexagonal boron nitride density functional theory |
| Zdroj: | Gilbert, SM; Pham, T; Dogan, M; Oh, S; Shevitski, B; Schumm, G; et al.(2018). Alternative Stacking Sequences in Hexagonal Boron Nitride. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/8m8391v4 2D Materials, vol 6, iss 2 |
| DOI: | 10.48550/arxiv.1810.04814 |
| Popis: | The relative orientation of successive sheets, i.e. the stacking sequence, in layered two-dimensional materials is central to the electronic, thermal, and mechanical properties of the material. Often different stacking sequences have comparable cohesive energy, leading to alternative stable crystal structures. Here we theoretically and experimentally explore different stacking sequences in the van der Waals bonded material hexagonal boron nitride (h-BN). We examine the total energy, electronic bandgap, and dielectric response tensor for five distinct high symmetry stacking sequences for both bulk and bilayer forms of h-BN. Two sequences, the generally assumed AA' sequence and the relatively unknown (for h-BN) AB (Bernal) sequence, are predicted to have comparably low energy. We present a scalable modified chemical vapor deposition method that produces large flakes of virtually pure AB stacked h-BN; this new material complements the generally available AA' stacked h-BN. |
| Databáze: | OpenAIRE |
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