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- 1. Phys. Rev. B 75, 144108 (2007) , “Interaction mechanism between edge dislocations and asymmetrical tilt grain boundaries investigated via quasicontinuum simulations”, T. Shimokawa, T. Kinari, and S. ShintakuThe interactions between edge dislocations and grain boundaries—dislocation pileup, dislocation absorption, and dislocation transmission—are studied by performing quasicontinuum simulations. The 112 asymmetrical tilt grain boundaries with different misorientation angles are used. The... (Read more)
- 2. Phys. Rev. B 75, 144101 (2007) , “NMR studies of metallic tin confined within porous matrices”, E. V. Charnaya, Cheng Tien, M. K. Lee, and Yu. A. Kumzerov119Sn NMR studies were carried out for metallic tin confined within synthetic opal and porous glass. Tin was embedded into nanoporous matrices in the melted state under pressure. The Knight shift for liquid confined tin was found to decrease with decreasing pore size. Correlations between... (Read more)
- 3. Phys. Rev. B 75, 134106 (2007) , “Exact linear response of reacting thermal defects driven by creation processes”, C. P. FlynnThe exact, linear response at steady state is calculated for reacting, but otherwise noninteracting, thermal defects driven by defect creation processes. The theory applies to vacancies and interstitials in the bulk, or to adatoms and advacancies on surface terraces. A wide variety of possible... (Read more)
- 4. Phys. Rev. Lett. 98, 220501 (2007) , “Efficient Dynamic Nuclear Polarization at High Magnetic Fields”, Gavin W. Morley, Johan van Tol, Arzhang Ardavan, Kyriakos Porfyrakis, Jinying Zhang, and G. Andrew D. BriggsBy applying a new technique for dynamic nuclear polarization involving simultaneous excitation of electronic and nuclear transitions, we have enhanced the nuclear polarization of the nitrogen nuclei in 15N@C60 by a factor of 103 at a fixed temperature of 3 K and a... (Read more)
- 5. Phys. Rev. Lett. 98, 137202 (2007) , “Magnetizing Oxides by Substituting Nitrogen for Oxygen”, I. S. Elfimov, A. Rusydi, S. I. Csiszar, Z. Hu, H. H. Hsieh, H.-J. Lin, C. T. Chen, R. Liang, and G. A. SawatzkyWe describe a possible pathway to new magnetic materials with no conventional magnetic elements present. The substitution of nitrogen for oxygen in simple nonmagnetic oxides leads to holes in N 2p states which form local magnetic moments. Because of the very large Hund's rule coupling of... (Read more)
- 6. Phys. Rev. Lett. 98, 135506 (2007) , “Possible Approach to Overcome the Doping Asymmetry in Wideband Gap Semiconductors”, Yanfa Yan, Jingbo Li, Su-Huai Wei, and M. M. Al-JassimThe asymmetry doping problem has severely hindered the potential applications of many wideband gap (WBG) materials. Here, we propose a possible approach to overcome this long-standing doping asymmetry problem for WBG semiconductors. Our approach is based on the reduction of the ionization energies... (Read more)
- 7. J. Appl. Phys. 100, 063517 (2006) , “Extraction of Cu diffusivities in dielectric materials by numerical calculation and capacitance-voltage measurement”, Ki-Su Kim, Young-Chang Joo, Ki-Bum Kim, and Jang-Yeon KwonA rigorous method of obtaining the Cu diffusivities in various SiO2-based dielectric materials is proposed. The diffusion profile of Cu ions in a dielectric material is first simulated and the resulting flatband voltage shift (VFB) is compared with the experimental... (Read more)
- 8. J. Appl. Phys. 100, 033901 (2006) , “Spin-dependent transport in diluted-magnetic-semiconductor/semiconductor quantum wires”, Wen Xu and Yong GuoSpin-polarized transport properties have been investigated in diluted-magnetic-semiconductor/semiconductor quantum wires. We stress the effects introduced by the structural configuration and geometric parameters as well as the external magnetic field. It is found that the symmetric quantum wire... (Read more)
- 9. J. Appl. Phys. 99, 043509 (2006) , “Influence of metal trapping on the shape of cavities induced by high energy He+ implantation”, R. El Bouayadi, G. Regula, M. Lancin, B. Pichaud, and M. DesvignesIn He implantation induced cavities highly contaminated with metals (Au, Ni, Pt) we found that, when no three-dimensional structure is observed, the shape of the cavities can be strongly modified depending on the nature of the metal and on its trapped quantity. The equilibrium shape of cavities is... (Read more)
- 10. Phys. Rev. B 74, 195101 (2006) , “Characterization of the hyperfine interaction in europium-doped yttrium orthosilicate and europium chloride hexahydrate”, J. J. Longdell, A. L. Alexander, and M. J. SellarsWe present characterization of the hyperfine interaction for the europium in hydrated europium chloride and as a dopant in yttrium orthosilicate. The Zeeman and pseudoquadrupole tensors were determined by measuring the hyperfine splittings while rotating the direction of a weak (~300 G) magnetic... (Read more)
- 11. Phys. Rev. B 74, 193405 (2006) , “Role of charge in destabilizing AlH4 and BH4 complex anions for hydrogen storage applications: Ab initio density functional calculations”, A. J. Du, Sean C. Smith, and G. Q. LuNaAlH4 and LiBH4 are potential candidate materials for mobile hydrogen storage applications, yet they have the drawback of being highly stable and desorbing hydrogen only at elevated temperatures. In this letter, ab initio density functional theory calculations reveal... (Read more)
- 12. Phys. Rev. B 74, 134303 (2006) , “1H NMR study of proton dynamics in Cs5H3(SO4)4·xH2O”, Koh-ichi Suzuki and Shigenobu HayashiComplicated phase relations in Cs5H3(SO4)4·xH2O are revealed by thermal analyses. A superprotonic phase transition takes place at 420 K for both the hydrated and the anhydrous forms. The 1H magic-angle-spinning (MAS) NMR... (Read more)
- 13. Phys. Rev. B 74, 115118 (2006) , “Optical properties of Cr3+ –doped oxides: Different behavior of two centers in alexandrite”, J. M. García-Lastra, J. A. Aramburu, M. T. Barriuso, and M. MorenoThis work is aimed at explaining the different color exhibited by the two Cr3+ centers in the alexandrite gemstone as well as ruby and emerald. Although the average Cr3+-O2– distance in ruby, emerald, and the Cs center in alexandrite is known... (Read more)
- 14. Phys. Rev. B 74, 045202 (2006) , “Effects of cation d states on the structural and electronic properties of III-nitride and II-oxide wide-band-gap semiconductors”, Anderson Janotti, David Segev, and Chris G. Van de WalleUsing first-principles methods based on density functional theory within the local density approximation (LDA) we calculate the structural and electronic properties of wurtzite MgO, ZnO, and CdO, and discuss their similarities and dissimilarities with the corresponding Group-III nitrides AlN, GaN,... (Read more)
- 15. Phys. Rev. B 73, 235206 (2006) , “LSDA+U study of cupric oxide: Electronic structure and native point defects”, Dangxin Wu and Qiming ZhangA first-principles study on strongly correlated monoclinic cupric oxide CuO has been performed by using the LSDA+U method. The optimized structural parameters of the crystal CuO are in good agreement with the experimental data. The electronic structures and magnetic properties calculated from the... (Read more)
- 16. Phys. Rev. B 73, 121306 (2006) , “Resistively detected NMR in a two-dimensional electron system near mu = 1: Clues to the origin of the dispersive lineshape”, L. A. Tracy, J. P. Eisenstein, L. N. Pfeiffer, and K. W. WestResistively detected nuclear magnetic resonance (NMR) measurements on 2D electron systems near the =1 quantum Hall state are reported. In contrast to recent results of Gervais et al. [Phys. Rev. Lett. 94, 196803 (2005)], a dispersive line shape is found at all radio-frequency powers studied... (Read more)
- 17. Phys. Rev. B 68, 085202 (2003) , “Physics and chemistry of hydrogen in the vacancies of semiconductors”, Bernadett Szûcs, Adam Gali, Zoltán Hajnal, Peter Deák, and Chris G. Van de WalleHydrogen is well known to cause electrical passivation of lattice vacancies in semiconductors. This effect follows from the chemical passivation of the dangling bonds. Recently it was found that H in the carbon vacancy of SiC forms a three-center bond with two silicon neighbors in the vacancy, and... (Read more)
- 18. J. Phys. Chem. Solids 55, 1353-1356 (1994) , “EPR of [FA]0 centres in zinc chalcogenides”, K. Tarkpea, A. Ots , V. Nikitenko[FA]0 centres in ZnO and ZnS single crystals have been detected by electron paramagnetic resonance. The [FA]0 centre consists of an anion vacancy with a localized electron and a monovalent substitutional impurity replacing an adjacent Zn2+ ion. This impurity is probably a Li+ ion in the case of ZnO... (Read more)
- 19. Prog. Surf. Sci. 20, 9-103 (1985) , “Chemisorption and charge transfer at ionic semiconductor surfaces: Implications in designing gas sensors”, W. GopelA detailed atomistic understanding of charge transfer reactions between semiconductor surfaces and adsorbing particles is essential for designing gas sensors or metal-oxide catalysts.This will be demonstrated in a discussion of thermodynamically or kinetically controlled solid/gas interactions at... (Read more)
- 20. J. Non-Cryst. Solids 58, 165-178 (1983) , “Electron paramagnetic resonance of Cu2+ and V4+ ions in borate glasses”, L. D. Bogomolova , V. A. JachkinThe EPR spectra of Cu2+ and V4+ ions have been studied in binary RO---B2O3 glasses (where R = Ba, Sr, Pb and Zn) and in ternary PbO---ZnO---B2O3 glasses. The main results of an EPR study of alkali-borate glasses are briefly reviewed. Three distinct EPR spectra of Cu2+ ions in barium-borate glasses... (Read more)
- 21. J. Non-Cryst. Solids 34, 339-356 (1979) , “ESR and optical absorption of cupric ion in borate glasses”, H. Hosono, H. Kawazoe and T. KanazawaESR and optical absorption of Cu2+ were measured in xNa2O(100−x)B2O3 (1 ≤ x ≤ 75), x ZnO(100−x)B2O3 (46 ≤ x ≤ 64) and x Pb(100−x)b2O3 (20 ≤ x ≤ 75) glasses, where x is expressed in mol.%. Spin hamiltonian parameters and ligand field... (Read more)
- 22. Thermochim. Acta 29, 247-252 (1979) , “Combined EPR and TG techniques : comparison of the thermal reduction of chromium (VI) ions in some zinc chromates and chromate-oxalate mixtures*1”, Z. Gabelica , E. G. DerouaneR. HubinLower oxydation state chromium species which are successively formed and stabilized upon thermal reduction of chromate (VI) ions, are studied by combined EPR and TG-techniques.The spontaneous oxygen release occuring during the vacuum thermal treatment of some zinc chromates leads to the formation of... (Read more)
- 23. Advances in Molecular Relaxation Processes 5, 211-218 (1973) , “Chemisorption of oxygen on transition metal oxides studied by EPR”, Krystyna DyrekThe method was applied to the investigation of adsorption of oxygen on the transition metal oxides MnO, FeO, CoO, Cu2O, and their solid solutions in the diamagnetic matrices ZnO and MgO. It has been found that in the case of pure oxides and their solid solutions at high magnetic metal ion... (Read more)
- 24. J. Lumin. 6, 376-384 (1973) , “2S1/2 state ions in inorganic luminescent materials*1”, G. Born, A. Hofstaetter , A. ScharmannSelected examples of impurity ions with one unpaired electron in an unfilled shell are Pb3+ ions in II–IV compounds (ZnO, ZnSe, ZnTe), Pb3+ in CaWO4,F centres in alkali halides and Ag0 and Au0 atoms in radiophotoluminescent (RPL) glasses. Comparative studies of EPR, luminescence,... (Read more)
- 25. J. Phys. Chem. Solids 29, 1407-1429 (1968) , “The structure of the paramagnetic lithium center in zinc oxide and beryllium oxide”, O. F. SchirmerIf ZnO and BeO crystals containing Li are irradiated with u.v. or X-rays, a paramagnetic defect center is created consisting of a hole captured at an O2− ion next to a substitutional Li+ impurity. Because of the polarity of the crystals, the hole assumes its lowest energy, if the... (Read more)
- 26. J. Chem. Phys. 21, 1688-1694 (1953) , “Dissociation, Chemical Exchange, and the Proton Magnetic Resonance in Some Aqueous Electrolytes”, H. S. Gutowsky and A. SaikaThe position of the proton magnetic resonance is concentration dependent in aqueous solutions of electrolytes yielding hydrogen containing ions. Chemical exchange averages the chemical shifts in the proton resonance position over the different chemical species. The averaged shifts observed are... (Read more)
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