First-principles local vibration mode calculations assign strontium vacancy-hydrogen complexes to the main IR absorption bands near 3500 cm-1 in cubic SrTiO3, with VTi-2Hi matching bands near 3300 cm-1.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.mtrl-sci 1years
2025 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Revisiting the configurations of hydrogen impurities in SrTiO3: Insights from first-principles local vibration mode calculations
First-principles local vibration mode calculations assign strontium vacancy-hydrogen complexes to the main IR absorption bands near 3500 cm-1 in cubic SrTiO3, with VTi-2Hi matching bands near 3300 cm-1.