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- 101. Appl. Phys. Lett. 90, 032906 (2007) , “Large scale ab initio molecular dynamics simulations of hydrogen-induced degradation of Ta diffusion barriers in ultralow-k dielectric systems”, Ling Dai, V. B. C. Tan, Shuo-Wang Yang, Ping Wu, and Xian-Tong ChenIn ultralow-k dielectric systems, the porous dielectrics are normally sealed by a SiC film before the deposition of a Ta diffusion barrier layer. However, the Ta barrier effects are negated when the SiC films are fabricated by plasma-enhanced chemical vapor deposition (PECVD). Through large... (Read more)
- 102. Appl. Phys. Lett. 90, 032102 (2007) , “Dynamic nuclear polarization induced by hot electrons”, Yosuke Komori and Tohru OkamotoA method for local dynamic nuclear polarization is demonstrated in a GaAs/AlGaAs heterostructure at the Landau level filling factor ν=3. Using a narrow channel sample, where the width varies stepwise along the electron flow, the authors find that electron cooling (heating) causes the polarization... (Read more)
- 103. Appl. Phys. Lett. 90, 023112 (2007) , “Electrically tunable defects in metallic single-walled carbon nanotubes”, Ji-Yong ParkA defect whose electron transmission probability can be controlled by electric field is intentionally created on a metallic single-walled carbon nanotube (SWCNT) with a voltage pulse from a tip of an atomic force microscope (AFM). Localized characteristics of the created defect are elucidated with... (Read more)
- 104. Appl. Phys. Lett. 90, 021920 (2007) , “Hydrogen passivation of nitrogen in GaNAs and GaNP alloys: How many H atoms are required for each N atom?”, I. A. Buyanova, W. M. Chen, M. Izadifard, S. J. Pearton, C. Bihler, M. S. Brandt, Y. G. Hong, and C. W. TuSecondary ion mass spectrometry and photoluminescence are employed to evaluate the origin and efficiency of hydrogen passivation of nitrogen in GaNAs and GaNP. The hydrogen profiles are found to closely follow the N distributions, providing unambiguous evidence for their preferential binding as the... (Read more)
- 105. Appl. Phys. Lett. 90, 013116 (2007) , “Onset of stacking faults in InP nanowires grown by gas source molecular beam epitaxy”, D. M. Cornet, V. G. M. Mazzetti, and R. R. LaPierreInP nanowires (NWs) were grown by gas source molecular beam epitaxy on InP (111)B substrates, using Au nanoparticles as a growth catalyst. The rod-shaped NWs exhibited hexagonal sidewall facets oriented along the {−211} family of crystal planes for all NW diameters, indicating minimal... (Read more)
- 106. Appl. Phys. Lett. 90, 013104 (2007) , “Scanning tunneling microscopy investigations of hydrogen plasma-induced electron scattering centers on single-walled carbon nanotubes”, G. Buchs, P. Ruffieux, P. Gröning, and O. GröningThe authors report on the generation of localized defects on single-walled carbon nanotubes by means of a hydrogen electron cyclotron resonance plasma. The defects have been investigated using scanning tunneling microscopy (STM) and show an apparent topographic height in the STM of 1–3 ... (Read more)
- 107. Appl. Phys. Lett. 90, 012107 (2007) , “Unambiguous identification of the PL-I9 line in zinc oxide”, S. Müller, D. Stichtenoth, M. Uhrmacher, H. Hofsäss, C. Ronning, and J. RöderRadioactive 111In atoms implanted into zinc oxide (ZnO) single crystals occupy substitutional Zn lattice sites after annealing to 700 °C. The respective photoluminescence (PL) spectra of the samples were monitored while the donor In decayed into stable and isolectronic Cd. The... (Read more)
- 108. Appl. Phys. Lett. 90, 011905 (2007) , “Dislocation junctions as barriers to threading dislocation migration”, Siu Sin Quek, Zhaoxuan Wu, Yong-Wei Zhang, Yang Xiang, and David J. SrolovitzLevel set simulations of dislocation dynamics in biaxially strained, heteroepitaxial films reveal interesting kinetic and thermodynamic mechanisms for blocking the migration of threading dislocations. Two dislocations on the same or on intersecting slip planes may react to form a threading... (Read more)
- 109. J. Appl. Phys. 102, 113702 (2007) , “Effect of the Schottky barrier height on the detection of midgap levels in 4H-SiC by deep level transient spectroscopy”, S. A. Reshanov and G. PenslThe effect of the Schottky barrier height on the detection of the concentration of midgap defects using deep level transient spectroscopy (DLTS) is experimentally and theoretically studied for EH6 and EH7 defects in 4H-SiC. In this special case, the DLTS signal height... (Read more)
- 110. J. Appl. Phys. 102, 103514 (2007) , AIP , “Characterization of defects in ZnO nanocrystals: Photoluminescence and positron annihilation spectroscopic studies”, A. K. Mishra, S. K. Chaudhuri, S. Mukherjee, A. Priyam, A. Saha, and D. DasDefects present in ZnO nanocrystals prepared by a wet chemical method have been characterized by photoluminescence (PL) and positron annihilation spectroscopy (PAS) techniques. The as-prepared sample was heat treated at different temperatures to obtain nanocrystals in the size range of 19–39 ... (Read more)
- 111. J. Appl. Phys. 102, 093711 (2007) , “Deep level thermal evolution in Fe implanted InP”, Tiziana Cesca and Andrea GasparottoWe report on the thermal evolution of the deep levels in Fe implanted and annealed InP. The position and nature of the dominant traps have been assessed by current-voltage-temperature measurements analyzed in the framework of the space-charge-limited current model. For low temperature annealing the... (Read more)
- 112. J. Appl. Phys. 102, 093504 (2007) , “Recombination centers in as-grown and electron-irradiated ZnO substrates”, N. T. Son and I. G. IvanovOptical detection of magnetic resonance (ODMR) was used to study defects in ZnO substrates irradiated with 3 MeV electrons at room temperature. The Zn vacancy and some other ODMR centers were detected. Among these, the Zn vacancy and two other centers, labeled as LU3 and LU4, were also commonly... (Read more)
- 113. J. Appl. Phys. 102, 086107 (2007) , “Photoluminescence in phosphorous-implanted ZnO films”, Veeramuthu Vaithianathan, Shunichi Hishita, Jae Young Park, and Sang Sub KimZnO thin films prepared by pulsed laser deposition were implanted with phosphorous (P) using dose levels of 1012–1014 ions/cm2 at room temperature. The P-implanted films were subsequently annealed between 500 and 700 °C in oxygen ambient. The Hall effect... (Read more)
- 114. J. Appl. Phys. 102, 084505 (2007) , “Annealing properties of vacancy-type defects in ion-implanted GaN studied by monoenergetic positron beams”, A. Uedono, K. Ito, H. Nakamori, K. Mori, Y. Nakano, T. Kachi, S. Ishibashi, T. Ohdaira, and R. SuzukiDefects in ion-implanted GaN and their annealing properties were studied by using monoenergetic positron beams. Doppler broadening spectra of the annihilation radiation and the positron lifetimes were measured for Si+, O+, and Be+-implanted GaN grown by the... (Read more)
- 115. J. Appl. Phys. 102, 073521 (2007) , “Effect of point defects on copper-related deep levels in p-type Czochralski silicon”, Weiyan Wang, Deren Yang, Xuegong Yu, Xiangyang Ma, and Duanlin QueThe effect of point defects on the copper (Cu)-related deep levels in p-type Czochralski (Cz) silicon has been investigated. It was found that generally five deep levels Ev+0.14 eV, Ev+0.17 eV, Ev+0.32 eV,... (Read more)
- 116. J. Appl. Phys. 102, 063713 (2007) , “Peculiarities of neutron-transmutation phosphorous doping of 30Si enriched SiC crystals: Electron paramagnetic resonance study”, P. G. Baranov, B. Ya. Ber, I. V. Ilyin, A. N. Ionov, E. N. Mokhov, M. V. Muzafarova, M. A. Kaliteevskii, P. S. Kop'ev, A. K. Kaliteevskii, O. N. Godisov, and I. M. LazebnikWe have obtained a high concentration of P donor dopants in 6H-SiC enriched with 30Si and irradiated with thermal neutrons. It was established that annealing at a relatively low temperature of 1300 °C, i.e., 500–600 °C lower than that used for annealing SiC with the... (Read more)
- 117. J. Appl. Phys. 102, 024908 (2007) , “Nitrogen acceptors in bulk ZnO (000) substrates and homoepitaxial ZnO films”, B. T. Adekore, J. M. Pierce, R. F. Davis, D. W. Barlage, and J. F. MuthBulk single crystals of unintentionally doped ZnO having charge carrier concentration, ND−NA values of ~1017 cm−3 were implanted with N+ ions at dosages of 1015 and 1016 ... (Read more)
- 118. J. Appl. Phys. 102, 023522 (2007) , “Segregation of ion implanted sulfur in Si(100) after annealing and nickel silicidation”, Q. T. Zhao, U. Breuer, St. Lenk, and S. MantlDiffusion of sulfur (S) in S+ ion implanted Si(100) was investigated after rapid thermal annealing as well as after nickel silicidation. At lower S doses, S segregates to the Si(100) surface when the defects created by the S implantation are reduced during annealing. If the S dose... (Read more)
- 119. J. Appl. Phys. 102, 013530 (2007) , “Fluorine-vacancy complexes in Si-SiGe-Si structures”, D. A. Abdulmalik, P. G. Coleman, H. A. W. El Mubarek, and P. AshburnFluorine-vacancy (FV) complexes have been directly observed in the Si0.94Ge0.06 layer in a Si-SiGe-Si structure, using variable-energy positron annihilation spectroscopy (VEPAS). These complexes are linked to the significant reduction of boron diffusion in the SiGe layer via... (Read more)
- 120. J. Appl. Phys. 101, 124902 (2007) , “Origin of green luminescence of ZnO powders reacted with carbon black”, Yi Hu and H.-J. ChenZnO powders were synthesized by a precipitation method and annealed with carbon black. Electron paramagnetic resonance (EPR) and photoluminescence spectroscopies were conducted to study the characteristics of the ZnO powders. The g factor of the EPR signal shifted to lower value for the... (Read more)
- 121. J. Appl. Phys. 101, 113537 (2007) , “Reactions of interstitial carbon with impurities in silicon particle detectors”, L. F. Makarenko, M. Moll, F. P. Korshunov, and S. B. LastovskiWe present deep level transient spectroscopy (DLTS) data measured on very high resistivity n-type float-zone silicon detectors after irradiation with 6 MeV electrons. The carbon interstitial annealing kinetics is investigated as a function of depth in the detector structure and related to... (Read more)
- 122. J. Appl. Phys. 101, 113526 (2007) , “Thermal evolution of boron irradiation induced defects in predoped Si revealed by positron annihilation experiments”, P. M. G. Nambissan, P. V. Bhagwat, and M. B. KurupThe isochronal annealing behavior of high energy (25–72 MeV) boron ion irradiation induced defects in boron-doped silicon is monitored through measurements of positron lifetimes and three distinct defect-evolution stages are identified. The initial boron doping created a defect environment... (Read more)
- 123. J. Appl. Phys. 101, 103716 (2007) , “Deep level transient spectroscopy study of defects in hydrogen implanted p-type 4H-SiC”, Giovanni Alfieri and Tsunenobu Kimotop-type 4H-SiC epitaxial layers grown by chemical vapor deposition have been implanted with 200 and 100 keV protons at five different implantation temperatures. An isochronal annealing series was performed from 100 to 1800 °C, and Al-doped epitaxial layers have been... (Read more)
- 124. J. Appl. Phys. 101, 103704 (2007) , “Deep level transient spectroscopy on as-grown and electron-irradiated p-type 4H-SiC epilayers”, Katsunori Danno and Tsunenobu KimotoThe authors have investigated deep levels in as-grown and electron-irradiated p-type 4H-SiC epilayers by deep level transient spectroscopy. In as-grown epilayers, the D center and four deep levels are observed. In p-type 4H-SiC, reactive ion etching followed by thermal treatment (at... (Read more)
- 125. J. Appl. Phys. 101, 093706 (2007) , “Persistent photoinduced changes in charge states of transition-metal donors in hydrothermally grown ZnO crystals”, Yongquan Jiang, N. C. Giles, and L. E. HalliburtonElectron paramagnetic resonance (EPR) has been used to monitor photoinduced changes in the charge states of deep transition-metal donors (Mn, Fe, Co, and Ni), shallow donors (Al and Ga), and lithium acceptors in a hydrothermally grown ZnO crystal. All of these impurities except the lithium were... (Read more)
- 126. J. Appl. Phys. 101, 086106 (2007) , “Electron irradiation induced deep centers in hydrothermally grown ZnO”, Z.-Q. Fang, B. Claflin, D. C. Look, and G. C. FarlowAn n-type hydrothermally grown ZnO sample becomes semi-insulating (ρ~108 Ω cm) after 1-MeV electron-irradiation. Deep traps produced by the irradiation were studied by thermally stimulated current spectroscopy. The dominant trap in the as-grown sample has an activation... (Read more)
- 127. J. Appl. Phys. 101, 083529 (2007) , “Low temperature diffusion of impurities in hydrogen implanted silicon”, S. Personnic, K. K. Bourdelle, F. Letertre, A. Tauzin, F. Laugier, R. Fortunier, and H. KlockerThe effect of hydrogen implantation on the transport of impurities in silicon is studied. We use secondary ion mass spectrometry measurements to investigate the depth redistribution of oxygen, carbon, and fluorine during low temperature, 450 °C, isothermal anneals. Their fast migration... (Read more)
- 128. J. Appl. Phys. 101, 073706 (2007) , “Properties of dominant electron trap center in n-type SiC epilayers by means of deep level transient spectroscopy”, M. Asghar, I. Hussain, H. S. Noor, F. Iqbal, Q. Wahab, and A. S. BhattiCharacterization of dominant electron trap in as-grown SiC epilayers has been carried out using deep level transient spectroscopy. Two electron traps E1 and Z1 at Ec−0.21 and Ec−0.61 are observed, respectively;... (Read more)
- 129. J. Appl. Phys. 101, 054511 (2007) , “Annealing of 60Co gamma radiation-induced damage in n-GaN Schottky barrier diodes”, G. A. Umana-Membreno, J. M. Dell, G. Parish, B. D. Nener, L. Faraone, S. Keller, and U. K. MishraThe effect of isochronal thermal annealing on Ni/n-GaN Schottky barrier diodes exposed to a total accumulated gamma-ray dose of 21 Mrad(Si) has been investigated using capacitance-voltage (C-V) and current-voltage (I-V) measurements, while capacitance deep-level... (Read more)
- 130. J. Appl. Phys. 101, 053716 (2007) , “Compensation mechanism in high purity semi-insulating 4H-SiC”, W. C. Mitchel, William D. Mitchell, H. E. Smith, G. Landis, S. R. Smith, and E. R. GlaserA study of deep levels in high purity semi-insulating 4H-SiC has been made using temperature dependent Hall effect (TDH), thermal and optical admittance spectroscopies, and secondary ion mass spectrometry (SIMS). Thermal activation energies from TDH varied from a low of 0.55 eV to a high of... (Read more)
- 131. J. Appl. Phys. 101, 053709 (2007) , “Impacts of growth parameters on deep levels in n-type 4H-SiC”, Katsunori Danno, Tsutomu Hori, and Tsunenobu KimotoDeep levels in n-type 4H-SiC epilayers have been investigated by deep level transient spectroscopy. The Z1/2 and EH6/7 centers are dominant in epilayers grown with low C/Si ratios during chemical vapor deposition. By increasing the C/Si ratio, the... (Read more)
- 132. J. Appl. Phys. 101, 046107 (2007) , “Dopant dependence on passivation and reactivation of carrier after hydrogenation”, N. Fukata, S. Sato, H. Morihiro, K. Murakami, K. Ishioka, M. Kitajima, and S. HishitaThe formation of hydrogen (H)-related complexes and H effects on boron (B) and phosphorus (P) dopants was investigated in B- or P-doped silicon (Si) crystal treated with high concentration of H. The reactivation process of dopant carriers by annealing after hydrogenation was significantly different... (Read more)
- 133. J. Appl. Phys. 101, 024324 (2007) , “Electron paramagnetic resonance in transition metal-doped ZnO nanowires”, A. O. Ankiewicz, M. C. Carmo, N. A. Sobolev, W. Gehlhoff, E. M. Kaidashev, A. Rahm, M. Lorenz, and M. GrundmannThe wide-band-gap zinc oxide-based diluted magnetic semiconductors currently attract considerable attention due to their possible use in spintronic devices. In this work, we studied ZnO nanowire samples synthesized on 10×10 mm2 a-plane sapphire substrates by high-pressure... (Read more)
- 134. J. Appl. Phys. 101, 024101 (2007) , “Defect states in the high-dielectric-constant gate oxide HfSiO4”, K. Xiong, Y. Du, K. Tse, and J. RobertsonHafnium silicate has a high dielectric constant and is a leading candidate to act as a gate dielectric. The defect energy levels have been calculated. The oxygen vacancy is found to give rise to Si-like levels which lie within the band gap of Si. The vacancy states are very localized and are... (Read more)
- 135. J. Appl. Phys. 101, 023516 (2007) , “Effect of screw dislocation density on optical properties in n-type wurtzite GaN”, Jeong Ho You and H. T. JohnsonThe effect of open-core screw dislocations on photoluminescence in n-doped wurtzite GaN epilayer is studied computationally and compared with experimental data. A k•p Hamiltonian calculation domain is set up to contain a dipole of open-core screw dislocations, and its size... (Read more)
- 136. J. Appl. Phys. 101, 023515 (2007) , “He induced nanovoids for point-defect engineering in B-implanted crystalline Si”, E. Bruno, S. Mirabella, F. Priolo, E. Napolitani, C. Bongiorno, and V. RaineriIn this paper we present a systematic study on the formation of He ion implantation induced nanovoids in Si and how they influence the self-interstitial (Is) supersaturation, thus affecting the diffusion and electrical activation of implanted boron in crystalline silicon. We implanted He ions... (Read more)
- 137. J. Appl. Phys. 101, 013902 (2007) , “An electron paramagnetic resonance study of n-type Zn1−xMnxO: A diluted magnetic semiconductor”, A. Ben Mahmoud, H. J. von Bardeleben, J. L. Cantin, E. Chikoidze, and A. MaugerWe present the results of an electron paramagnetic resonance study of homogeneous single phase Zn1−xMnxO thin films with Mn concentrations varying between x=0.07 and x=0.34. Our results show antiferromagnetic (AF) coupling in the entire... (Read more)
- 138. J. Appl. Phys. 101, 013707 (2007) , “Vanadium donor and acceptor levels in semi-insulating 4H- and 6H-SiC”, W. C. Mitchel, W. D. Mitchell, G. Landis, H. E. Smith, Wonwoo Lee, and M. E. ZvanutThe electronic levels of vanadium in semi-insulating 4H- and 6H-SiC have been reinvestigated using temperature dependent Hall effect and resistivity measurements at temperatures up to 1000 K in conjunction with electron paramagnetic resonance (EPR) and optical absorption measurements... (Read more)
- 139. J. Appl. Phys. 101, 013703 (2007) , “Electron spin resonance study of as-deposited and annealed (HfO2)x(SiO2)1−x high-κ dielectrics on Si”, B. B. Triplett, P. T. Chen, Y. Nishi, P. H. Kasai, J. J. Chambers, and L. ColomboElectron spin resonance measurements on 4 and 40 nm thick (HfO2)0.6(SiO2)0.4 and (HfO2)0.4(SiO2)0.6 high-κ films on (100)Si wafers detected Pb0 and Pb1... (Read more)
- 140. Jpn. J. Appl. Phys. 46, L57 (2007) , “Synthesis and Characterization of Pt/Co–O/Pt Trilayer Exhibiting Large Reproducible Resistance Switching”, Hisashi Shima, Fumiyoshi Takano, Yukio Tamai, Hiro Akinaga, and Isao H. Inoue.The resistance switching in Pt/Co–O/Pt trilayers has been successfully demonstrated. The trilayers were prepared by radio-frequency magnetron sputtering. The partial pressure of oxygen during sputtering and the post thermal process for the trilayer are crucial to realize the reproducible resistance switching. By adjusting oxygen partial pressure as well as post-annealing temperature and time, large resistance switching was steadily obtainable in both the as deposited and post-annealed Pt/Co–O/Pt trilayers. The resistance switching ratio exceeds 103, being sufficiently large for the resistance random access memory (RRAM). Co–O is regarded as a very promising oxide for RRAM having compatibilities with the conventional complementary metal–oxide semiconductor process. (Read more)
- 141. Phys. Rev. B 76, 233204 (2007) , “Room-temperature annealing of vacancy-type defect in high-purity n-type Si”, J. H. Bleka, E. V. Monakhov, B. G. Svensson, and B. S. AvsetElectron-irradiated p+-n−-n+ diodes produced from low-doped high-purity Si wafers were found, by deep-level transient spectroscopy (DLTS), to have a prominent defect, labeled E4, with an energy level 0.37 eV below the... (Read more)
- 142. Phys. Rev. B 76, 233202 (2007) , “Evidence of a second acceptor state of the E center in Si1−xGex”, K. Kuitunen, F. Tuomisto, and J. SlotteWe have found evidence of a second acceptor state of the E center in Si1−xGex by using positron annihilation spectroscopy. To achieve this, we studied proton irradiated n-type Si1−xGex with a Ge content... (Read more)
- 143. Phys. Rev. B 76, 214114 (2007) , “Biradical states of oxygen-vacancy defects in α-quartz”, R. I. Mashkovtsev, D. F. Howarth, and J. A. WeilSeveral radiation defects with effective electron spin S=1 have been observed in synthetic α-quartz, using room-temperature (RT) electron paramagnetic resonance (EPR) spectroscopy. It turns out that these defects had better be considered as biradicals, i.e., pairs of S=1/2... (Read more)
- 144. Phys. Rev. B 76, 195203 (2007) , “Zn interstitial related donors in ammonia-treated ZnO powders”, J. Sann, J. Stehr, A. Hofstaetter, D. M. Hofmann, A. Neumann, M. Lerch, U. Haboeck, A. Hoffmann, and C. ThomsenZnO powder heat treated in NH3 atmosphere was investigated by electron paramagnetic resonance, photoluminescence, and Raman spectroscopy. We find that the treatment creates Zn interstitials (Zni) and complexes of Zn interstitials and nitrogen atoms substituting oxygen... (Read more)
- 145. Phys. Rev. B 76, 165209 (2007) , “Theoretical study of small silicon clusters in 4H-SiC”, T. Hornos, N. T. Son, E. Janzén, and A. GaliWe have studied the small clusters of silicon and carbon interstitials by ab initio supercell calculations in 4H-SiC. We found that silicon interstitials can form stable and electrically active complexes with each other or with a carbon interstitial. Local vibration modes and... (Read more)
- 146. Phys. Rev. B 76, 165207 (2007) , “Introduction and recovery of Ga and N sublattice defects in electron-irradiated GaN”, F. Tuomisto, V. Ranki, D. C. Look, and G. C. FarlowWe have used positron annihilation spectroscopy to study the introduction and recovery of point defects introduced by 0.45 and 2 MeV electron irradiation at room temperature in n-type GaN. Isochronal annealings were performed up to 1220 K. We observe vacancy defects with specific lifetime... (Read more)
- 147. Phys. Rev. B 76, 165202 (2007) , “Native point defects in ZnO”, Anderson Janotti and Chris G. Van de WalleWe have performed a comprehensive first-principles investigation of native point defects in ZnO based on density functional theory within the local density approximation (LDA) as well as the LDA+U approach for overcoming the band-gap problem. Oxygen deficiency, manifested in the form of... (Read more)
- 148. Phys. Rev. B 76, 155203 (2007) , “Ab initio study of lithium and sodium in diamond”, E. B. Lombardi, Alison Mainwood, and K. OsuchInterstitial lithium and sodium have been suggested as alternatives to phosphorus to achieve shallow n-type doping of diamond. Experimental results have, however, been contradictory. We report ab initio density functional theory modeling of lithium and sodium in diamond and show that... (Read more)
- 149. Phys. Rev. B 76, 125205 (2007) , “Formation of electron traps in amorphous silica”, Matteo Farnesi Camellone, Joachim C. Reiner, Urs Sennhauser, and Louis SchlapbachThe capture of an electron by a silicon atom in a defect-free bulk of amorphous silica (a-SiO2) has been investigated. Ab initio constrained dynamics has been applied to evaluate the energy barrier. The computed energy barrier involved in the mechanism was found to be 0.23 ... (Read more)
- 150. Phys. Rev. B 76, 125204 (2007) , “Interstitial Fe in Si and its interactions with hydrogen and shallow dopants”, M. Sanati, N. Gonzalez Szwacki, and S. K. EstreicherThe properties of interstitial iron in crystalline silicon and its interactions with hydrogen, shallow acceptors (B, Al, Ga, In, and Tl), and shallow donors (P and As) are calculated from first-principles in periodic supercells. The interactions between the {Fe,B} pair and interstitial hydrogen are... (Read more)
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