Pressure effect on hydrogen tunneling and vibrational spectrum in α-Mn
Abstract
Here in this paper, the pressure effect on the tunneling mode and vibrational spectra of hydrogen in α-MnH0.07 has been studied by inelastic neutron scattering. Applying hydrostatic pressure of up to 30 kbar is shown to shift both the hydrogen optical modes and the tunneling peak to higher energies. First-principles calculations show that the potential for hydrogen in α-Mn becomes overall steeper with increasing pressure. At the same time, the barrier height and its extent in the direction of tunneling decrease and the calculations predict significant changes of the dynamics of hydrogen in α-Mn at 100 kbar, when the estimated tunneling splitting of the hydrogen ground state exceeds the barrier height.
- Authors:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division
- Russian Academy of Sciences (RAS), Moscow (Russia). Inst. for High Pressure Physics; Russian Academy of Sciences (RAS), Moscow (Russia). Inst. for Nuclear Research
- Russian Academy of Sciences (RAS), Moscow (Russia). Inst. of Solid State Physics
- Russian Academy of Sciences (RAS), Moscow (Russia). Inst. of Solid State Physics; Polish Academy of Sciences (PAS), Warsaw (Poland). Inst. of Physical Chemistry
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Data Analysis and Visualization Division
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1328306
- Alternate Identifier(s):
- OSTI ID: 1328484
- Grant/Contract Number:
- AC05-00OR22725; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 94; Journal Issue: 13; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Kolesnikov, Alexander I, Podlesnyak, Andrey A, Sadykov, Ravil A., Antonov, Vladimir E., Kuzovnikov, Michael, Ehlers, Georg, and Granroth, Garrett E. Pressure effect on hydrogen tunneling and vibrational spectrum in α-Mn. United States: N. p., 2016.
Web. doi:10.1103/PhysRevB.94.134301.
Kolesnikov, Alexander I, Podlesnyak, Andrey A, Sadykov, Ravil A., Antonov, Vladimir E., Kuzovnikov, Michael, Ehlers, Georg, & Granroth, Garrett E. Pressure effect on hydrogen tunneling and vibrational spectrum in α-Mn. United States. https://doi.org/10.1103/PhysRevB.94.134301
Kolesnikov, Alexander I, Podlesnyak, Andrey A, Sadykov, Ravil A., Antonov, Vladimir E., Kuzovnikov, Michael, Ehlers, Georg, and Granroth, Garrett E. Mon .
"Pressure effect on hydrogen tunneling and vibrational spectrum in α-Mn". United States. https://doi.org/10.1103/PhysRevB.94.134301. https://www.osti.gov/servlets/purl/1328306.
@article{osti_1328306,
title = {Pressure effect on hydrogen tunneling and vibrational spectrum in α-Mn},
author = {Kolesnikov, Alexander I and Podlesnyak, Andrey A and Sadykov, Ravil A. and Antonov, Vladimir E. and Kuzovnikov, Michael and Ehlers, Georg and Granroth, Garrett E},
abstractNote = {Here in this paper, the pressure effect on the tunneling mode and vibrational spectra of hydrogen in α-MnH0.07 has been studied by inelastic neutron scattering. Applying hydrostatic pressure of up to 30 kbar is shown to shift both the hydrogen optical modes and the tunneling peak to higher energies. First-principles calculations show that the potential for hydrogen in α-Mn becomes overall steeper with increasing pressure. At the same time, the barrier height and its extent in the direction of tunneling decrease and the calculations predict significant changes of the dynamics of hydrogen in α-Mn at 100 kbar, when the estimated tunneling splitting of the hydrogen ground state exceeds the barrier height.},
doi = {10.1103/PhysRevB.94.134301},
journal = {Physical Review B},
number = 13,
volume = 94,
place = {United States},
year = {Mon Oct 03 00:00:00 EDT 2016},
month = {Mon Oct 03 00:00:00 EDT 2016}
}
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