Electronic structure of metal hydrides. IV. TiH/sub x/, ZrH/sub x/, HfH/sub x/, and the fcc-fct lattice distortion

Journal Article · Sun Feb 15 00:00:00 EST 1981 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.23.1692· OSTI ID:6645954

Weaver, J H; Peterman, D J; Peterson, D T; Franciosi, A

The electronic structures of TiH/sub x/, ZrH/sub x/, and HfH/sub x/ have been studied using photoelectron spectroscopy and synchrotron radiation. Structures in the metal d-derived band within approx.3 eV of the Fermi level E/sub F/ and in the bonding band (approx.3--10 eV below E/sub F/) are compared with theory. In each dihydride, the bonding band center falls at -5.5 eV, at approximately the same energy as previously observed for the dihydrides of Sc and Y. Changes in the emission features near E/sub F/ and at -7 eV have been observed in samples bridging the fcc..-->..fct distortion in ZrH/sub x/, 1.63< or =x< or =1.94. The changes at E/sub F/ demonstrate the Jahn-Teller effect for the electronic states of ZrH/sub x/. The binding energies of the Ti 3p, Zr 4p, Hf 5p, and Hf 4f cores are observed to be greater than in the elemental metals, consistent with charge transfer to the hydrogen site.

• Research Organization: Synchrotron Radiation Center, University of Wisconsin-Madison, Stoughton, Wisconsin 53589
• OSTI ID: 6645954
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Vol. 23:4
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
HAFNIUM HYDRIDES
CRYSTAL-PHASE TRANSFORMATIONS
ELECTRONIC STRUCTURE
JAHN-TELLER EFFECT
PHOTOELECTRON SPECTROSCOPY
TITANIUM HYDRIDES
ZIRCONIUM HYDRIDES
BAND THEORY
BINDING ENERGY
ELECTRON SPECTROSCOPY
ENERGY
HAFNIUM COMPOUNDS
HYDRIDES
HYDROGEN COMPOUNDS
PHASE TRANSFORMATIONS
SPECTROSCOPY
TITANIUM COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
ZIRCONIUM COMPOUNDS
360204* - Ceramics
Cermets
&amp; Refractories- Physical Properties