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The structural, vibrational, energetic and electronic properties of hydrogen at the stoichiometric RuO2(110) termination are studied using density functional theory. The oxide surface is found to stabilize both molecular and dissociated H2.…

Materials Science · Physics 2007-05-23 Qiang Sun , Karsten Reuter , Matthias Scheffler

Oxygen adsorption onto Ru (10 bar 1 0) results in the formation of two ordered overlayers, i.e. a c(2 times 4)-2O and a (2 times 1)pg-2O phase, which were analyzed by low-energy electron diffraction (LEED) and density functional theory…

We employ an optical pump-probe technique to study coherent phonon oscillations in Ca$_2$RuO$_4$. We find that oscillation-amplitude of an $A_g$ symmetric phonon mode is strongly suppressed at 260 K, a putative transition point of orbital…

Strongly Correlated Electrons · Physics 2018-10-24 Min-Cheol Lee , Choong H. Kim , Inho Kwak , J. Kim , S. Yoon , Byung Cheol Park , Bumjoo Lee , F. Nakamura , C. Sow , Y. Maeno , T. W. Noh , K. W. Kim

Anatase is a metastable polymorph of TiO$_2$. In contrast to the more widely-studied TiO$_2$ rutile, O vacancies (V$_\mathrm O$'s) are not stable at the anatase (101) surface. Low-temperature STM shows that surface V$_\mathrm O$'s, created…

Synthesis in 1% oxygen at 930C leads to non-superconducting RuSr2GdCu2O8 in which superconductivity subsequently can be induced with oxygen annealings without observable stoichiometric changes. Detailed ac susceptibility and zero-field muon…

We perform first-principles calculations of the quasiparticle defect states, charge transition levels, and formation energies of oxygen vacancies in rutile titanium dioxide. The calculations are done within the recently developed combined…

Materials Science · Physics 2014-07-23 Andrei Malashevich , Manish Jain , Steven G. Louie

In the present work, we investigate oxygen vacancies (V$_\mathrm{O}$) in Co$_3$O$_4$, both in the bulk phase and under liquid-phase ethylene glycol oxidation, by combining theoretical and experimental techniques. Density functional theory…

YBCO, LSCO and Ru-1212 have been extensively studied by measuring the complex dynamic Young's modulus at 0.5-20 kHz between 1 and 900 K. The elastic energy loss is peaked at the temperatures where the relaxation rate of any microscopic…

Superconductivity · Physics 2007-05-23 F. Cordero

We report on Raman and photoluminescence spectroscopic studies on oxygen vacancy induced structural disorder in Gd2Ti2O7-d single crystals grown by optical floating zone technique under argon atmosphere. The oxygen vacancies in Gd2Ti2O7-d…

Comprehensive measurements of dc and ac susceptibility, dc resistance, magnetoresistance, Hall resistivity, and microwave absorption and dispersion in fields up to 8 T have been carried out on RuSr_2GdCu_2O_8 with the aim to establish the…

Superconductivity · Physics 2009-11-07 M. Pozek , A. Dulcic , D. Paar , A. Hamzic , M. Basletic , E. Tafra , G. V. M. Williams , S. Kramer

The valence of Ru was analyzed for two RuSr2(Gd0.75Ce0.25)2Cu2O10 samples with different oxygen contents by Ru LIII edge x ray absorption near-edge structure (XANES) spectroscopy. For the sample as-synthesized in 1 atm O2 the DC…

Superconductivity · Physics 2007-05-23 V. P. S. Awana , M. Karppinen , H. Yamauchi , M. Matvejeff , R. S. Liu , L. -Y. Jang

Here we report the results of thermogravimetric (TG) analysis on the oxygen non-stoichiometry of RuSr2GdCu2O8 (Ru-1212) and RuSr2(Gd0.75Ce0.25)2Cu2O10(Ru-1222) samples. With TG annealings carried out in O2 and Ar atmospheres it was found…

Superconductivity · Physics 2009-11-07 M. Matvejeff , V. P. S. Awana , L. -Y. Jang , R. S. Liu , H. Yamauchi , M. Karppinen

Oxygen vacancies can be of utmost importance for improving or deteriorating physical properties of oxide materials. Here, we studied from first-principles the electronic and magnetic properties of oxygen vacancies in the double perovskite…

Materials Science · Physics 2018-06-12 Martin Hoffmann , Victor N. Antonov , Lev V. Bekenov , Kalevi Kokko , Wolfram Hergert , Arthur Ernst

The formation energies of the oxygen vacancy and titanium interstitial in rutile TiO2 were calculated by the screened exchange (sX) hybrid density functional method, which gives a band gap of 3.1 eV, close to the experimental value. The O…

Atomic and Molecular Clusters · Physics 2015-06-05 Hsin-Yi Lee , Stewart J. Clark , John Robertson

We review the reasons that make superconductivity unlikely to arise in a ferromagnet. Then, in light of the report by Tallon and collaborators that RuSr2GdCu2O8 becomes superconducting at approximately 35 K which is well below the Curie…

Superconductivity · Physics 2009-10-31 R. Weht , A. B. Shick , W. E. Pickett

We report on high-precision measurements of the temperature dependence of the plane-^63Cu NQR line frequency nu_Q(Cu2) and the linewidth in normal and superconducting ^16O and ^18O exchanged YBa_2Cu_4O_8. Whereas nu_Q(Cu2) passes T_c very…

Superconductivity · Physics 2009-11-07 M. Mali , J. Roos , H. Keller , J. Karpinski , K. Conder

We have studied radiofrequency capacitively coupled plasmas in pure O2 using single mode laser cavity ringdown spectroscopy of oxygen atoms at 630 nm. The absolute atom densities and translational temperatures were determined over a range…

Plasma Physics · Physics 2026-03-13 Shu Zhang , Andrey Volynets , Garrett A. Curley , Jean-Paul Booth

Cu$_2$O has appealing properties as an electrode for photo-electrochemical water splitting, yet its practical performance is severely limited by inefficient charge extraction at the interface. Using hybrid DFT calculations, we investigate…

Materials Science · Physics 2021-03-09 Chiara Ricca , Lisa Grad , Matthias Hengsberger , Jürg Osterwalder , Ulrich Aschauer

Critical behavior of the infrared reflectivity of RuSr_2GdCu_2O_8 ceramics is observed near the superconducting T_{SC} = 45 K and magnetic T_M = 133 K transition temperatures. The optical conductivity reveals the typical features of the…

Strongly Correlated Electrons · Physics 2009-10-31 A. V. Boris , P. Mandal , C. Bernhard , N. N. Kovaleva , K. Pucher , J. Hemberger , A. Loidl

The influence of the electric field and electric current on the behavior of oxygen vacancies (VOs) in TiO2 anatase was investigated with Scanning Tunneling Microscopy (STM). At the anatase (101) surface VOs are not stable; they migrate into…

Materials Science · Physics 2018-04-16 Martin Setvin , Michael Schmid , Ulrike Diebold
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