Osmium is not harder than diamond
Abstract
A recent measurement found Os has a larger bulk modulus than diamond, in agreement with an earlier calculation. We have made fully relativistic linear augmented plane-wave calculations of osmium and diamond and found diamond to have the larger bulk modulus, independent of whether the local-density- or generalized-gradient-approximation (GGA) exchange-correlation potentials are used. With the GGA our bulk modulus lies between two very recent and more accurate experimental values.
- Publication:
-
Physical Review B
- Pub Date:
- September 2005
- DOI:
- 10.1103/PhysRevB.72.113106
- Bibcode:
- 2005PhRvB..72k3106S
- Keywords:
-
- 71.20.Be;
- 62.20.Dc;
- Transition metals and alloys;
- Elasticity elastic constants