Journal
PHYSICAL REVIEW B
Volume 94, Issue 13, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.94.134301
Keywords
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Funding
- Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy
- Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]
- Laboratory Directed Research and Development Program of Oak Ridge National Laboratory
- UT-Battelle, LLC [DE-AC05-00OR22725]
- U.S. Department of Energy
- DOE Public Access Plan
- Program on Elementary Particle Physics, Fundamental Nuclear Physics, and Nuclear Technologies of RAS
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The pressure effect on the tunneling mode and vibrational spectra of hydrogen in alpha-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 alpha-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 alpha-Mn at 100 kbar, when the estimated tunneling splitting of the hydrogen ground state exceeds the barrier height.
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