Published August 23, 1993
| Version v1
Journal article
Peierls distortion in hexagonal YH3
Creators
- 1. School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332-0430 (United States)
Description
A pseudopotential local-density calculation is performed for YH3 to study the unusual hydrogen displacements previously found in neutron diffraction. These displacements are Peierls distortions associated with (hydrogen) lattice instability in this 3D system. The wave vector of these displacements is close to the vector connecting the electron and hole pockets in the undistorted system. With other electron and hole pockets at Γ that still overlap after distortion, the possibility of the existence of an excitonic insulator phase will be discussed
Additional details
Publishing Information
- Journal Title
- Physical Review Letters
- Journal Volume
- 71
- Journal Issue
- 8
- Journal Page Range
- p. 1226-1229.
- ISSN
- 0031-9007
- CODEN
- PRLTAO
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 25002262
- Subject category
- S36: MATERIALS SCIENCE; S36: MATERIALS SCIENCE;
- Descriptors DEI
- ATOMIC DISPLACEMENTS; CRYSTAL STRUCTURE; ELECTRIC CONDUCTIVITY; ELECTRONIC STRUCTURE; EXCITONS; PEIERLS-NABARRO FORCE; PHASE STABILITY; YTTRIUM HYDRIDES
- Descriptors DEC
- ELECTRICAL PROPERTIES; HYDRIDES; HYDROGEN COMPOUNDS; PHYSICAL PROPERTIES; PHYSICAL RADIATION EFFECTS; QUASI PARTICLES; RADIATION EFFECTS; STABILITY; TRANSITION ELEMENT COMPOUNDS; YTTRIUM COMPOUNDS