GROUND-STATE PROPERTIES OF THE PTBR NEUTRAL MX CHAIN COMPOUND

Authors
ALOUANI M ALBERS RC WILLS JM SPRINGBORG M
Citation
M. Alouani et al., GROUND-STATE PROPERTIES OF THE PTBR NEUTRAL MX CHAIN COMPOUND, Synthetic metals, 56(2-3), 1993, pp. 3364-3369
Citations number
17
Categorie Soggetti
Physics, Condensed Matter","Metallurgy & Mining
Journal title
Synthetic metals → ACNP
ISSN journal
03796779
Volume
56
Issue
2-3
Year of publication
1993
Pages
3364 - 3369
Database
ISI
SICI code
0379-6779(1993)56:2-3<3364:GPOTPN>2.0.ZU;2-4
Abstract
We present first-principles all-electron local-density-approximation c alculations of the neutral halogen-bridged transition-metal linear-cha in compound (MX chain system) Pt2Br6(NH3)4; the results agree well wit h the experimental lattice dimerization, band gap, and the Raman breat hing mode.