While the hexagonal lattice is ubiquitous in two dimensions, the body centered cubic lattice and the face centered cubic lattice are both commonly observed in three dimensions. A geometric variational problem motivated by the diblock copolymer theory consists of a short range interaction energy and a long range interaction energy. In three dimensions, and when the long range interaction is given by the nonlocal operator $(-\Delta)^{-3/2}$, it is proved that the body centered cubic lattice is the preferred structure.
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Chemical interactions that govern the structures of metals
Most metals adopt simple structures such as body-centered cubic (BCC), face-centered cubic (FCC), and hexagonal close-packed (HCP) structures in specific groupings across the periodic table, and many undergo transitions to surprisingly complex structures on compression, not expected from conventional free-electron-based theories of metals. First-principles calculations have been able to reproduce many observed structures and transitions, but a unified, predictive theory that underlies this behavior is not yet in hand. Discovered by analyzing the electronic properties of metals in various lattices over a broad range of sizes and geometries, a remarkably simple theory shows that the stability of metal structures is governed by electrons occupying local interstitial orbitals and their strong chemical interactions. The theory provides a basis for understanding and predicting structures in solid compounds and alloys over a broad range of conditions.
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- NSF-PAR ID:
- 10403379
- Date Published:
- Journal Name:
- Proceedings of the National Academy of Sciences
- Volume:
- 120
- Issue:
- 8
- ISSN:
- 0027-8424
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1073/pnas.2218405120
