Pith. sign in

REVIEW

Local electronic structure of dilute hydrogen in $\beta$-MnO$_{2}$

Not yet reviewed by Pith; the record is open.

This paper has not been read by Pith yet. Machine review is queued; the pith claim, tier, and objections will appear here once it completes.

SPECIMEN: schema-true, not a live event

T0 review · schema-true

One-sentence machine reading of the paper's core claim.

pith:XXXXXXXX · record.json · timestamp

arxiv 2401.02109 v1 pith:IZP7LD4I submitted 2024-01-04 cond-mat.mtrl-sci

classification cond-mat.mtrl-sci
keywords hydrogenmuonbetacombinedelectronicenergyinterstitiallocalized
verification ladder T0 review T1 audit T2 compute T3 formal
0 comments
abstract

The electronic and magnetic states of $\beta$-MnO$_{2}$ in terms of hydrogen impurities have been investigated by muon spin rotation ($\mu$SR) technique combined with density-functional theory (DFT) calculations for muon as pseudo-hydrogen. We found that 85% of implanted muons are localized in the oxygen channels of the rutile structure and behave as interstitial protons (Mu$^{+})$ except those (7.6%) forming a charge-neutral state (Mu$^{0})$ at 2.3 K, which indicates that interstitial hydrogen acts as a shallow donor within less than 0.1 meV of ionization energy. The residual 15% of muons are attributed to those related to lattice imperfection as Mn vacancies. Detailed analyses combined with DFT approach suggested that the muon is localized at the center of the oxygen channel due to its large zero-point vibration energy.

Discussion (0). Sign in to comment.

Pith tools