Abstract
The very unusual structural features observed in the recently characterized high pressure novel K-Ag alloys can be rationalized using simple electron counting rules and a moment analysis of the electronic density of states. The stability of the alloys is attributed to almost complete electron transfer from K bands to Ag bands and spatially extended Ag bands. This allows for efficient Ag-Ag bonding interactions at an unusually long distance of 5.54 Å and exceptionally short K-K bonds due to reduced repulsive interactions between the ions. The general principles developed here are applicable to the understanding of the structure and bonding of other high pressure intermetallic alloys.
- Received 8 January 1999
DOI:https://doi.org/10.1103/PhysRevLett.82.4472
©1999 American Physical Society