dc.contributor.author |
Narasimhan, Shobhana
|
|
dc.contributor.author |
Davenport, James W
|
|
dc.date.accessioned |
2012-02-22T09:40:00Z |
|
dc.date.available |
2012-02-22T09:40:00Z |
|
dc.date.issued |
1995-01-01 |
|
dc.identifier |
0163-1829 |
en_US |
dc.identifier.citation |
Physical Review B 51(1), 659-662 (1995) |
en_US |
dc.identifier.uri |
https://libjncir.jncasr.ac.in/xmlui/10572/492 |
|
dc.description |
Restricted Access |
en_US |
dc.description.abstract |
We have performed first-principles local-density-approximation calculations on aluminum-magnesium intermetallic compounds. Experimental studies of this system have shown that complex topologically close-packed structures with large unit cells are favored over simpler planar structures. We show that this is due to the opening of a quasigap in the density of states at the Fermi level; our results for total energies confirm that this lowers the energy. These electronic effects resemble those measured and calculated for quasicrystals which have similar chemical compositions and structures. |
en_US |
dc.description.uri |
http://dx.doi.org/10.1103/PhysRevB.51.659 |
en_US |
dc.language.iso |
en |
en_US |
dc.publisher |
American Physical Society |
en_US |
dc.rights |
© 1995 The American Physical Society |
en_US |
dc.subject |
Quasi-Crystals |
en_US |
dc.subject |
Structural-Properties |
en_US |
dc.subject |
Pseudopotentials |
en_US |
dc.subject |
Stability |
en_US |
dc.subject |
Magnesium |
en_US |
dc.subject |
Abinitio |
en_US |
dc.subject |
Order |
en_US |
dc.title |
An ab initio study of polytetrahedral packing: the Al-Mg system |
en_US |
dc.type |
Article |
en_US |