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SUMMARY:Local electronic structure of interstitial hydrogen in MgH$_2$ inf
 erred from muon
DTSTART;VALUE=DATE-TIME:20220829T164000Z
DTEND;VALUE=DATE-TIME:20220829T170000Z
DTSTAMP;VALUE=DATE-TIME:20220826T110223Z
UID:indico-contribution-3714@indico.stfc.ac.uk
DESCRIPTION:Speakers: Ryosuke Kadono (IMSS\, KEK)\nMetal hydrides have att
 racted attention as one of the candidate materials that can serve as safe 
 and efficient hydrogen (H) storages. In particular\, MgH$_2$ has great pot
 ential as a solid H-storage material because of its high storage capacity 
 of 7.6 wt\\%. However\, its slow hydrogenation and dehydrogenation rates a
 nd the high decomposition temperature ($\\sim$300$^\\circ$C) are major obs
 tacles to the practical applications. Understanding the microscopic mechan
 isms of the H-related processes is key to engineering solutions to improve
  the H-intake/release kinetics and to lower the decomposition temperature.
  To this end\, the information on the electronic state of interstitial H (
 which exists as an intermediate state in the reaction kinetics) is crucial
  in gaining insight into the rate-limiting processes.\nThe preceding studi
 es on the microscopic state of H in MgH$_2$ have been mainly via computati
 onal approaches based on density functional theory (DFT)\, but there have 
 been few experimental investigations to validate the prediction of DFT cal
 culations. We have introduced muons as pseudo-H into MgH$_2$\, and studied
  their electronic and dynamical properties in detail to elucidate the corr
 esponding interstitial H states. As a result\, we found two species of Mu 
 states showing comparable yields\; a paramagnetic state with relatively la
 rge hyperfine parameters (0.5-1.7 GHz) that undergoes rapid conversion to 
 diamagnetic states\, and a quasistatic diamagnetic state described by the 
 Kubo-Toyabe relaxation function.  In this talk\, we discuss the correspond
 ence between these Mu states and the predictions from the DFT calculations
 .\n\nhttps://indico.stfc.ac.uk/event/53/contributions/3714/
LOCATION:Science and Technology Campus\, University of Parma
URL:https://indico.stfc.ac.uk/event/53/contributions/3714/
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