Published September 1, 2011 | Version v1
Journal article Metadata-only

Effect of long-range order on elastic properties of Pd0.5Ag0.5 alloy from first principles

Creators

  • 1. Applied Materials Physics, Department of Materials Science and Engineering, KTH Royal Institute of Technology, SE-100 44 Stockholm (Sweden)
  • 2. Turku University Centre for Materials and Surfaces (MatSurf), Turku (Finland)
  • 3. Graduate School of Materials Research, Turku (Finland)
  • 4. Department of Physics and Astronomy, University of Turku, FI-20014 Turku (Finland)
  • 5. Research Institute for Solid State Physics and Optics, H-1525 Budapest, P.O. Box 49 (Hungary)
  • 6. Division for Materials Theory, Department of Physics and Materials Science, Uppsala University, SE-75120 Uppsala, P. O. Box 516 (Sweden)

Description

The effect of long-range order on single-crystal elastic constants of Pd0.5Ag0.5 alloy has been investigated using first-principles electronic structure calculations. The lowest energy among the considered ordered, partially ordered, and disordered structures is found to be the L11 layered structure, which is formed by alternate (111) Pd and Ag layers. The ordering effect is found to follow a clear trend: in contrast to the disordered phase, for which the Ka and Kc compressibilities are equal, the L11 structure becomes less compressible along the c axis than along the a axis.

Additional details

Identifiers

DOI
10.1103/PhysRevB.84.094205;

Publishing Information

Journal Title
Physical Review. B, Condensed Matter and Materials Physics
Journal Volume
84
Journal Issue
9
Journal Page Range
p. 094205-094205.6
ISSN
1098-0121

INIS

Country of Publication
United States
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
43074544
Subject category
S36: MATERIALS SCIENCE; S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
COMPRESSIBILITY; ELASTICITY; ELECTRONIC STRUCTURE; LAYERS; MONOCRYSTALS; PALLADIUM; PALLADIUM ALLOYS; SILVER ALLOYS
Descriptors DEC
ALLOYS; CRYSTALS; ELEMENTS; MECHANICAL PROPERTIES; METALS; PLATINUM METAL ALLOYS; PLATINUM METALS; TRANSITION ELEMENT ALLOYS; TRANSITION ELEMENTS

Optional Information

Notes
(c) 2011 American Institute of Physics