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Related Experiment Videos

Evidence for Ionic Bonding in YH(3-delta).

M Rode1, A Borgschulte, A Jacob

  • 1Institut für Halbleiterphysik und Optik, TU Braunschweig, Mendelssohnstrasse 3, D-38106 Braunschweig, Germany. ma.rode@tu-bs.de

Physical Review Letters
|December 12, 2001
PubMed
Summary

Infrared spectroscopy reveals that hydrogen in yttrium hydride (YH3-delta) is negatively charged, not a proton. This finding impacts understanding of hydride properties and bonding in YH3-delta materials.

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Area of Science:

  • Solid State Physics
  • Materials Science
  • Infrared Spectroscopy

Background:

  • Yttrium hydride (YH3-delta) is a material with potential applications.
  • Understanding the charge state of hydrogen in metal hydrides is crucial for predicting their properties.

Purpose of the Study:

  • To investigate the optical properties and bonding characteristics of YH3-delta and YD3-delta thin films.
  • To determine the charge state and effective charges of ions in YH3-delta.

Main Methods:

  • Infrared transmission spectra measurement from 300 to 6000 cm(-1).
  • Kramers-Kronig analysis to calculate optical constants.
  • Fitting conductivity and dielectric loss functions with Drude and Lorentz models.

Main Results:

Related Experiment Videos

  • Optical constants and phonon frequencies (longitudinal and transverse) were determined for YH3-delta and YD3-delta.
  • Born and Szigeti effective charges were calculated.
  • Hydrogen in YH3-delta was found to be negatively charged, with a Szigeti effective charge near 0.5e.

Conclusions:

  • Hydrogen exists as a hydride ion (H-) rather than a proton (H+) in YH3-delta.
  • The derived ionicities provide insight into the chemical bonding within YH3-delta.
  • The study clarifies the nature of hydrogen incorporation in yttrium hydride systems.