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- 101. Phys. Rev. B 74, 205324 (2006) , “Surface smoothness of plasma-deposited amorphous silicon thin films: Surface diffusion of radical precursors and mechanism of Si incorporation”, Mayur S. Valipa, Tamas Bakos, and Dimitrios MaroudasWe present a detailed analysis of the fundamental atomic-scale processes that determine the surface smoothness of hydrogenated amorphous silicon (a-Si:H) thin films. The analysis is based on a synergistic combination of molecular-dynamics (MD) simulations of radical precursor migration on surfaces... (Read more)
- 102. Phys. Rev. B 74, 214105 (2006) , “Atomistic simulations of radiation-induced defect formation in spinels: MgAl2O4, MgGa2O4, and MgIn2O4”, D. Bacorisen, Roger Smith, B. P. Uberuaga, K. E. Sickafus, J. A. Ball, and R. W. GrimesMolecular dynamics simulations of collision cascades were performed in three spinel oxides with varying inversion, namely normal magnesium aluminate, MgAl2O4, half-inverse magnesium gallate, MgGa2O4, and inverse magnesium indate,... (Read more)
- 103. J. Phys. Chem. Solids 67, 789 (2006) , “Spectroscopic and magnetic studies of manganese ions in ZnO–Sb2O3–B2O3 glass system”, M. Srinivasa Reddy, G. Murali Krishna , N. VeeraiahZnO–Sb2O3–B2O3 glasses containing different concentrations of MnO ranging from 0 to 1.0 mol% were prepared. A number of studies, viz. optical absorption, infrared and ESR spectra and magnetic susceptibility, were carried out as a function of manganese ion concentration. The analysis of... (Read more)
- 104. J. Appl. Phys. 99, 054507 (2006) , “Characterization of HfSiON gate dielectrics using monoenergetic positron beams”, A. Uedono, K. Ikeuchi, T. Otsuka, K. Shiraishi, K. Yamabe, S. Miyazaki, N. Umezawa, A. Hamid, T. Chikyow, T. Ohdaira M. Muramatsu, R. Suzuki, S. Inumiya, S. Kamiyama, Y. Akasaka, Y. Nara, and K. YamadaThe impact of nitridation on open volumes in thin HfSiOx films fabricated on Si substrates by atomic layer deposition was studied using monoenergetic positron beams. For HfSiOx, positrons were found to annihilate from the trapped state due to open volumes which... (Read more)
- 105. J. Appl. Phys. 99, 063509 (2006) , “On the origin of the Staebler-Wronski effect”, Thomas KrügerThe parametrization of our recently proposed model of the Staebler-Wronski effect (SWE) is improved, which leads to an even better agreement with the experimental photoconductivity of light-soaked a-Si:H. The numerical solution of the essential equation exhibits well the typical SWE behavior,... (Read more)
- 106. J. Appl. Phys. 99, 073511 (2006) , “Effects of temperature and flux on oxygen bubble formation in Li borosilicate glass under electron beam irradiation”, Nadège Ollier, Giancarlo Rizza, Bruno Boizot, and Guillaume PetiteOxygen bubble formation and evolution under a 300 keV electron beam are analyzed in a Li borosilicate glass under different irradiation conditions: temperature, flux, and dose. Oxygen bubbles are observed to form in a delimited flux and temperature region with a threshold requirement. This region... (Read more)
- 107. J. Appl. Phys. 99, 103510 (2006) , “Fluorine in preamorphized Si: Point defect engineering and control of dopant diffusion”, G. Impellizzeri, S. Mirabella, F. Priolo, E. Napolitani, and A. CarneraWhile it is known that F modifies dopant diffusion in crystalline Si, the physical mechanisms behind this process are still unclear. In this work we report experimental studies about the F control of the point defect density in preamorphized Si layers. These studies put the basis for the... (Read more)
- 108. J. Appl. Phys. 99, 113520 (2006) , “Effects of hydrogen bond redistribution on photoluminescence of a-SiC:H films under thermal treatment”, A. V. Vasin, S. P. Kolesnik, A. A. Konchits, V. I. Kushnirenko, V. S. Lysenko, A. N. Nazarov, A. V. Rusavsky, and S. AshokHydrogenated amorphous silicon carbide (a-SiC:H) films have been deposited using magnetron sputtering technique. An integrated investigation of the effect of vacuum annealing temperature on photoluminescence properties and paramagnetic defects and its correlation with structural... (Read more)
- 109. J. Appl. Phys. 100, 013706 (2006) , “Distributions of self-trapped hole continuums in silica glass”, R. P. Wang, K. Saito, and A. J. IkushimaPhotobleaching of self-trapped holes (STH) in low temperature UV-irradiated silica glass has been investigated by the electron spin resonance method. The bleaching time dependence of the decay of two kinds of STH, STH1, and STH2, could be well fitted by the stretched... (Read more)
- 110. J. Appl. Phys. 100, 033517 (2006) , “Sources of optical absorption between 5.7 and 5.9 eV in silica implanted with Si or O”, R. H. Magruder, III, A. Stesmans, K. Clémer, R. A. Weeks, and R. A. WellerTo determine if the only source of optical absorption between 5.8 and 5.9 eV is the E center (absorbing at 5.85 eV) two separate suites of type III silica samples were implanted, one with Si and one with O. Several ion energies were used for implantation to produce layers 600 and... (Read more)
- 111. J. Appl. Phys. 100, 064501 (2006) , “Introduction of defects into HfO2 gate dielectrics by metal-gate deposition studied using x-ray photoelectron spectroscopy and positron annihilation”, A. Uedono, T. Naito, T. Otsuka, K. Shiraishi, K. Yamabe, S. Miyazaki, H. Watanabe, N. Umezawa, T. Chikyow, Y. Akasaka, S. Kamiyama, Y. Nara, and K. YamadaThe impact of TiN deposition on thin HfO2 films formed on Si substrates was studied using x-ray photoelectron spectroscopy and a monoenergetic positron beam. For the predeposition sample, the positrons implanted into Si were found to diffuse toward the HfO2/Si interface under... (Read more)
- 112. Appl. Phys. Lett. 88, 012101 (2006) , “The structure of the SiO2/Si(100) interface from a restraint-free search using computer simulations”, Dominik Fischer, Alessandro Curioni, Salomon Billeter, and Wanda AndreoniThe structure of the interface between SiO2 and Si(100) is investigated using the replica-exchange method driven by classical molecular dynamics simulations based on ab initio-derived interatomic potentials. Abrupt interfaces are shown to be unstable, whereas a substoichiometric... (Read more)
- 113. Appl. Phys. Lett. 88, 171912 (2006) , “Impact of nitridation on open volumes in HfSiOx studied using monoenergetic positron beams”, A. Uedono, K. Ikeuchi, T. Otsuka, K. Yamabe, K. Eguchi, M. Takayanagi, T. Ohdaira, M. Muramatsu, R. Suzuki, A. S. Hamid, T. ChikyowThe effects of nitridation on open volumes in thin HfSiOx films fabricated by metal-organic chemical vapor deposition were studied using monoenergetic positron beams. It was found that positrons were annihilated from the trapped state by open volumes that exist intrinsically in... (Read more)
- 114. Appl. Phys. Lett. 88, 182903 (2006) , “Effects of Al addition on the native defects in hafnia”, Q. Li, K. M. Koo, W. M. Lau, P. F. Lee, J. Y. Dai, Z. F. Hou, X. G. GongTwo occupied native defect bands are experimentally detected in pure HfO2. The density of states of band one in the middle of the band gap reduces drastically with the Al addition, while that of band two slightly above the valence-band maximum remains rather unaffected. We attribute the... (Read more)
- 115. Appl. Phys. Lett. 88, 193502 (2006) , “Role of oxygen vacancy in HfO2/SiHfO2/Si(100) interfaces”, D.-Y. Cho, S.-J. Oh, Y. J. Chang, T. W. Noh, R. Jung, J.-C. LeeWe have investigated the interface states in HfO2/SiO2/Si(100) systems that were prepared by using the in situ pulsed laser deposition technique. X-ray photoelectron spectroscopy data revealed that when the HfO2 film thickness exceeds 11 Å, the film... (Read more)
- 116. Appl. Phys. Lett. 89, 011909 (2006) , “Unusual hydrogen distribution and its change in hydrogenated amorphous silicon prepared using bias electric-field molecular beam deposition”, Nobuyuki Matsuki, Satoshi Shimizu, Michio Kondo, and Akihisa MatsudaHydrogenated amorphous silicon (a-Si:H) films prepared using a molecular beam deposition (MBD) method show an unusually sharp, narrow infrared absorption peak at 20802090 cm1, which is thought to result from surface SiH species in the a-Si:H. The sharp, narrow... (Read more)
- 117. Appl. Phys. Lett. 89, 041918 (2006) , “Detection and mobility of hafnium in SiO2”, Dmitri O. Klenov, Thomas E. Mates, and Susanne StemmerHigh-angle annular dark-field imaging in scanning transmission electron microscopy and x-ray photoelectron spectroscopy were used to investigate thermal SiO2 layers doped with Hf by ion implantation. Hf was mobile under the focused electron beam in the as-implanted samples. After... (Read more)
- 118. Appl. Phys. Lett. 89, 042503 (2006) , “Evidence for magnetism due to oxygen vacancies in Fe-doped HfO2 thin films”, Nguyen Hoa Hong, Nathalie Poirot, and Joe SakaiFe-doped HfO2 thin films are room temperature ferromagnetic. In comparison with results of the undoped HfO2 films, it seems that the Fe doping is not the main cause for the ferromagnetism but only acts as a catalyst. Experimental results of oxygen annealing and vacuum heat... (Read more)
- 119. Appl. Phys. Lett. 89, 092120 (2006) , “Defect generation at SiO2/Si interfaces by low pressure chemical vapor deposition of silicon nitride”, Hao Jin, K. J. Weber, and P. J. SmithLow pressure chemical vapor deposition of Si3N4 on oxidized Si (111) surfaces causes a change in the properties of the dominant interface defect, the Pb center, observed by electron paramagnetic resonance. The change in the signature of the... (Read more)
- 120. Appl. Phys. Lett. 89, 092902 (2006) , “Charge trapping in nitrided HfSiO gate dielectric layers”, G. Vellianitis, Z. M. Rittersma, and J. PétryThe effects of HfSiO nitridation on charge trapping and long-term dielectric reliability are investigated. A comparison between decoupled plasma nitridation, annealing in NH3, and no nitridation is made. It was found that thinner HfSiO layers show less trapped charge. Decoupled plasma... (Read more)
- 121. Appl. Phys. Lett. 89, 112121 (2006) , “Nature and stability of the (100)Si/LaAlO3 interface probed by paramagnetic defects”, A. Stesmans, K. Clémer, V. V. Afanas'ev, L. F. Edge, and D. G. SchlomElectron spin resonance analysis of (100)Si/LaAlO3 structures reveals the absence of a Si/SiO2-type interface in terms of archetypal Si-dangling bond-type Si/SiO2 interface defects (Pb0,Pb1). With no... (Read more)
- 122. Appl. Phys. Lett. 89, 112903 (2006) , “Effect of impurities on the fixed charge of nanoscale HfO2 films grown by atomic layer deposition”, Raghavasimhan Sreenivasan, Paul C. McIntyre, Hyoungsub Kim, and Krishna C. SaraswatHfO2 films were grown by atomic layer deposition using two different precursor chemistriesHfCl4 and tetrakis(diethylamido)hafnium (TDEAH) with H2O as the oxidant. Electrical measurements on capacitor structures fabricated using the films showed a 0.4 V... (Read more)
- 123. Appl. Phys. Lett. 89, 142909 (2006) , “Fluorine passivation in poly-Si/TaN/HfO2 through ion implantation”, M. H. Zhang, F. Zhu, T. Lee, H. S. Kim, I. J. Ok, G. Thareja, L. Yu, and Jack C. LeeFluorine (F) passivation in poly-Si/TaN/HfO2/p-Si gate stacks through gate ion implantation has been studied. It has been found that when the TaN thickness was less than 15 nm, the mobility and subthreshold swing improved significantly in HfO2 n-channel... (Read more)
- 124. Phys. Rev. Lett. 98, 216103 (2007) , “Influence of Cumulenic Chains on the Vibrational and Electronic Properties of sp-sp2 Amorphous Carbon”, L. Ravagnan, P. Piseri, M. Bruzzi, S. Miglio, G. Bongiorno, A. Baserga, C. S. Casari, A. Li Bassi, C. Lenardi, Y. Yamaguchi, T. Wakabayashi, C. E. Bottani, and P. MilaniWe report the production and characterization of a form of amorphous carbon with sp-sp2 hybridization (atomic fraction of sp hybridized species 20%) where the predominant sp bonding appears to be (=C=C=)n cumulene.... (Read more)
- 125. Phys. Rev. B 75, 014102 (2007) , “First-principles study of vacancy formation in hydroxyapatite”, Katsuyuki Matsunaga and Akihide KuwabaraFirst-principles plane-wave calculations were performed for hydroxyapatite (HAp) in order to investigate the electronic structure and vacancy formation mechanisms. The HAp unit cell contains PO4 tetrahedra and OH groups formed by covalent P-O and H-O bonds. Ca ions play a role for... (Read more)
- 126. Phys. Rev. B 75, 024205 (2007) , “Mechanical strength and coordination defects in compressed silica glass: Molecular dynamics simulations”, Yunfeng Liang, Caetano R. Miranda, and Sandro ScandoloContrary to ordinary solids, which are normally known to harden by compression, the compressibility of SiO2 (silica) glass has a maximum at about 2–4 GPa and its mechanical strength shows a minimum around 10 GPa. At this pressure, the compression of silica glass undergoes a change... (Read more)
- 127. Phys. Rev. B 75, 033303 (2007) , “Excitons in silicon nanocrystallites: The nature of luminescence”, Eleonora Luppi, Federico Iori, Rita Magri, Olivia Pulci, Stefano Ossicini, Elena Degoli, and Valerio OlevanoThe absorption and emission spectra of silicon nanocrystals up to 1 nm diameter have been calculated within a first-principles framework. Our calculations include geometry optimization and the many-body effects induced by the creation of an electron-hole pair. Starting from hydrogenated silicon... (Read more)
- 128. Phys. Rev. B 75, 075304 (2007) , “Damage evolution in low-energy ion implanted silicon”, R. Karmouch, Y. Anahory, J.-F. Mercure, D. Bouilly, M. Chicoine, G. Bentoumi, R. Leonelli, Y. Q. Wang, and F. SchiettekatteThe annealing of damage generated by low-energy ion implantation in polycrystalline silicon (poly-Si) and amorphous silicon (a-Si) is compared. The rate of heat release between implantation temperature and 350–500 °C for Si implanted in both materials and for different ions implanted in... (Read more)
- 129. Phys. Rev. B 75, 085205 (2007) , “Luminescence properties of hexagonal boron nitride: Cathodoluminescence and photoluminescence spectroscopy measurements”, M. G. Silly, P. Jaffrennou, J. Barjon, J.-S. Lauret, F. Ducastelle, A. Loiseau, E. Obraztsova, B. Attal-Tretout, and E. RosencherCathodoluminescence and photoluminescence spectroscopies have been performed on hexagonal boron nitride powders. The combination of these techniques allows us to analyze the two observed luminescence bands. A deep-level UV emission at about 4 eV is attributed to defects or impurities, and a... (Read more)
- 130. Phys. Rev. B 75, 085415 (2007) , “Positronium as a probe of transient paramagnetic centers in a-SiO2”, D. B. Cassidy, K. T. Yokoyama, S. H. M. Deng, D. L. Griscom, H. Miyadera, H. W. K. Tom, C. M. Varma, and A. P. Mills, Jr.A laser-pump, positron-probe technique has been developed for measuring the dynamics of laser-induced paramagnetic centers in porous materials. The basis of the technique is the fact that the annihilation rate of ortho-positronium may increase in the presence of unpaired spins. By using an intense... (Read more)
- 131. 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)
- 132. J. Appl. Phys. 104, 014106 (2008) , “Analysis of electrically biased paramagnetic defect centers in HfO2 and HfxSi1−xO2 / (100)Si interfaces”, P. T. Chen, B. B. Triplett, J. J. Chambers, L. Colombo, P. C. McIntyre, and Y. NishiThis study reports on the first experimental observations of electrically biased paramagnetic defects at 800 °C N2 annealed HfxSi1−xO2 (x=0.4, and 0.6)/(100)Si and HfO2/(100)Si interfaces in metal oxide silicon... (Read more)
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