7 documents found, page 1 of 1
Electronic structure of interstitial hydrogen in lutetium oxide from DFT + U ca...
Silva, E. Lora da; Marinopoulos, A. G.; Vieira, R. B. L.; Vilão, R. C.; Alberto, H. V.; Gil, J. M.; Lichti, R. L.; Mengyan, P. W.; Baker, B. B.The electronic structure of hydrogen impurity in Lu2O3 was studied by first-principles calculations and muonium spectroscopy. The computational scheme was based on two methods: first, a semi-local functional of conventional density-functional theory (DFT) and secondly a DFT+U approach which accounts for the on-site correlation of the 4f electrons via an effective Hubbardtype interaction. Three different types o...
Isolated hydrogen configurations in zirconia as seen by muon spin spectroscopy ...
Vieira, R. B. L.; Vilão, R. C.; Marinopoulos, A. G.; Gordo, P. M.; Paixão, J. A.; Alberto, H. V.; Gil, J. M.; Weidinger, A.; Lichti, R. L.; Baker, B.
The muonium donor in rutile TiO2 and comparison with hydrogen
Vilão, R. C.; Vieira, R. B. L.; Alberto, H. V.; Gil, J. M.; Weidinger, A.; Lichti, R. L.; Baker, B. B.; Mengyan, P. W.; Lord, J. S.Muonium, a positive muon and an electron, is often used as an experimentally accessible substitute for hydrogen in materials research. In semiconductors and insulators, a large amount of information on the hydrogen behavior is deduced from this analogy; however, it is seldom demonstrated that this procedure is justified. We show here, via a comparison of the hyperfine interactions, that in TiO2 muonium and hydr...
Possible donor and acceptor energies for Mu in ZnSe
Lichti, R. L.; Carroll, B. R.; Vernon, J. E.; Bani-Salameh, H. N.; Chow, K. H.; Fan, I.; Egilmez, M.; Vilão, R. C.; Gil, J. M.; Alberto, H. V.http://www.sciencedirect.com/science/article/B6TVH-4V2NP2J-1G/2/9cc872ab4bb7b3920fd0a305f17d7708
Delayed electron capture and Mu- formation in ZnSe
Vilão, R. C.; Gil, J. M.; Weidinger, A.; Alberto, H. V.; Piroto Duarte, J.; Costa, B. F. O.; Ayres de Campos, N.; Lichti, R. L.; Chow, K. H.http://www.sciencedirect.com/science/article/B6TVH-4V2NP2J-1R/2/ae8c94d2ee3229b6fe7881d93d1a64eb
Location of the H[+/-] level: Experimental limits for muonium
Lichti, R. L.; Chow, K. H.; Gil, J. M.; Stripe, D. L.; Vilão, R. C.; Cox, S. F. J.The defect energy levels for muonium, a light pseudo-isotope of hydrogen, are investigated to define the equivalent of the H[+/-] level which is predicted to be fixed at a universal energy. Existing results for Mu at donor and acceptor sites in silicon tentatively place Mu[+/-] approximately 0.5 eV above the predicted hydrogen level. Measured donor ionization energies in other materials in which two neutral Mu ...
Probing the shallow-donor muonium wave function in ZnO and CdS via transferred ...
Lord, J. S.; Cottrell, S. P.; King, P. J. C.; Alberto, H. V.; Ayres de Campos, N.; Gil, J. M.; Duarte, J. Piroto; Vilão, R. C.; Lichti, R. L.The assignment of muon spin rotation spectra to muonium counterparts of hydrogen shallow-donor states is reviewed in four II-VI widegap semiconductors, CdS, CdSe, CdTe and ZnO. The existence of extended electronic orbitals is argued from the muon-electron hyperfine parameters and supported by the new muon spin repolarization data for CdS and ZnO, characterizing the superhyperfine parameters on the sparse Cd and...