cap alpha. -. beta. Transition in T = 0 high pressure beryllium
Conference
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OSTI ID:5683323
Linear-muffin-tin-orbital calculations are reported for the static lattice energy of ..cap alpha.. (hcp) and ..beta.. (bcc) Be under pressure. These results indicate a T = 0 ..cap alpha..-..beta.. transition below 2 Mbar with a volume change between one and two percent. The bulk moduli of the two structures are found to be essentially identical, so that any change in the lattice Grueneisen parameter at the transition must arise from structural dependence in other combinations of the elastic constants, most likely Poisson's ratio.
- Research Organization:
- Lawrence Livermore National Lab., CA (USA)
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 5683323
- Report Number(s):
- UCRL-86280; CONF-810684-55; ON: DE82006773
- Resource Relation:
- Conference: APS conference on shock waves in condensed matter, Menlo Park, CA, USA, 23 Jun 1981
- Country of Publication:
- United States
- Language:
- English
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OSTI ID:5683323