Home Publications Research Grants Inventions & Patents Awards Additional Research Activities Faculties & Institutions Research Areas

Post-anti-van't Hoff-Le Bel motif in atomically thin germanium-copper alloy film

Yang LM, Popov IA, Boldyrev AI, Heine T, Frauenheim T, Ganz E (2015)

---

Publication Type: Journal article

Publication year: 2015

Journal

Book Volume: 17

Pages Range: 17545-17551

Journal Issue: 27

DOI: 10.1039/c5cp02827b

Abstract

Using quantum-chemical calculations and reduced dimensionality, we show that the "post-anti-van't Hoff-Le Bel" motif of germanium can be stabilized in a novel two-dimensional (2D) copper-germanium alloy film. This hypercoordinate sheet is the first stable planar hexacoordinate germanium material in 2D space. First principle calculations and molecular dynamics indicate that this Cu2Ge alloy film is a diamagnetic metal, and survives brief 10 ps annealing up to 1200 K. The electron delocalization and chemical bonding are unique and different from that of graphene, the all-boron α-sheet, and the BC3 honeycomb epitaxial sheet. Furthermore, we open a new route for the transformation of individual molecules to extended planar 2D sheets. This will provide new possibilities for extended planar hypercoordinate materials. We hope that these results will provide new opportunities to design post-anti-van't Hoff-Le Bel motifs by manipulation of dimensionality and quantum confinement.

Involved external institutions

How to cite

APA:

Yang, L.-M., Popov, I.A., Boldyrev, A.I., Heine, T., Frauenheim, T., & Ganz, E. (2015). Post-anti-van't Hoff-Le Bel motif in atomically thin germanium-copper alloy film. Physical Chemistry Chemical Physics, 17(27), 17545-17551. https://doi.org/10.1039/c5cp02827b

MLA:

Yang, Li-Ming, et al. "Post-anti-van't Hoff-Le Bel motif in atomically thin germanium-copper alloy film." Physical Chemistry Chemical Physics 17.27 (2015): 17545-17551.

BibTeX: Download