High-pressure structural study of α -Mn: Experiments and calculations
Source abstract
Abstract
Manganese, in the $\ensuremath{\alpha}$-Mn structure, has been studied using synchrotron powder x-ray diffraction in a diamond anvil cell up to 220 GPa at room temperature combined with density functional calculations. The experiment reveals an extended pressure stability of the $\ensuremath{\alpha}$-Mn phase up to the highest pressure of this study, in contrast to previous experimental and theoretical studies. On the other hand, calculations reveal that the previously predicted hcp Mn phase becomes lower in enthalpy than the $\ensuremath{\alpha}$-Mn phase above 160 GPa. The apparent discrepancy is explained due to a substantial electron transfer between Mn ions, which stabilizes the $\ensuremath{\alpha}$-Mn phase through the formation of ionic bonding between monatomic ions under pressure.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Metal and Thin Film Mechanics · Boron and Carbon Nanomaterials Research · Rare-earth and actinide compounds
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, USA
Department of Physics and Engineering Physics, University of Saskatchewan, Saskatoon Saskatchewan, S7N 5E2, Canada
Center for Advanced Radiation Sources, University of Chicago, Chicago, Illinois 60637, USA
Funding
U.S. Department of Energy · Defense Advanced Research Projects Agency · Natural Sciences and Engineering Research Council of Canada · National Science Foundation · Laboratory Directed Research and Development
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