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- 301. Appl. Phys. Lett. 89, 112106 (2006) , “Effects of edge dislocations and intentional Si doping on the electron mobility of n-type GaN films”, D. G. Zhao, Hui Yang, J. J. Zhu, D. S. Jiang, Z. S. Liu, S. M. Zhang, Y. T. Wang, and J. W. LiangThe effects of dislocations and Si doping on the electrical properties of n-type GaN grown by metal organic chemical vapor deposition (MOCVD) are investigated. It is found that both electron mobility and carrier concentration are strongly influenced by edge dislocations. A moderate Si doping... (Read more)
- 302. Appl. Phys. Lett. 89, 103519 (2006) , “Observation of a multilayer planar in-grown stacking fault in 4H-SiC p-i-n diodes”, Joshua D. Caldwell, P. B. Klein, Mark E. Twigg, Robert E. Stahlbush, Orest J. Glembocki, Kendrick X. Liu, Karl D. Hobart, and Fritz KubIn-grown stacking faults (IGSFs) are planar defects that do not propagate under either an applied optical or electrical bias; however, their effect upon the electrical characteristics of diodes is not well understood. We present evidence for a multilayered IGSF and discuss its electrical and optical... (Read more)
- 303. Appl. Phys. Lett. 89, 101111 (2006) , “Investigation of dark line defects induced by catastrophic optical damage in broad-area AlGaInP laser diodes”, M. Bou Sanayeh, A. Jaeger, W. Schmid, S. Tautz, P. Brick, K. Streubel, and G. BacherThe authors present a detailed investigation of defects generated during catastrophic optical damage (COD) in high-power 650 nm AlGaInP lasers using microphotoluminescence (µ-PL) mapping, focused ion beam (FIB) microscopy, and deep-etching techniques. High-resolution µ-PL... (Read more)
- 304. 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)
- 305. Appl. Phys. Lett. 89, 092123 (2006) , “Accurate dependence of gallium nitride thermal conductivity on dislocation density”, C. Mion, J. F. Muth, E. A. Preble, and D. HanserThe authors experimentally find that the thermal conductivity of gallium nitride depends critically on dislocation density using the 3-omega technique. For GaN with dislocation densities lower than 106 cm2, the thermal conductivity is independent with dislocation... (Read more)
- 306. Appl. Phys. Lett. 89, 092122 (2006) , “Deep acceptor states in ZnO single crystals”, H. von Wenckstern, R. Pickenhain, H. Schmidt, M. Brandt, G. Biehne, M. Lorenz, M. Grundmann, and G. BrauerThe authors report the observation of both acceptor- and donorlike defects in ZnO by deep level transient spectroscopy. The observation is facilitated by using a p-n junction allowing the injection of holes and electrons. The junction is realized by implanting a n-conducting ZnO... (Read more)
- 307. 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)
- 308. Appl. Phys. Lett. 89, 092113 (2006) , “Large fluorine-vacancy clusters in Si and their capture efficiency for self-interstitials”, Giorgia M. Lopez and Vincenzo FiorentiniBased on ab initio density-functional energetics for saturated (n=2m+2) fluorine-vacancy clusters FnVm for m up to 4, the authors set up a model showing that (a) fluorine-vacancy (FV) aggregates in Si can form in any... (Read more)
- 309. Appl. Phys. Lett. 89, 092107 (2006) , “Photoluminescence studies of impurity transitions in AlGaN alloys”, N. Nepal, M. L. Nakarmi, J. Y. Lin, and H. X. JiangDeep ultraviolet photoluminescence (PL) spectroscopy has been employed to investigate impurity transitions in Si doped Al-rich AlGaN alloys. In addition to the previously reported donor compensating centersisolated cation vacancy with three negative charges... (Read more)
- 310. Appl. Phys. Lett. 89, 092103 (2006) , “Electron energy barriers at interfaces of GaAs(100) with LaAlO3 and Gd2O3”, V. V. Afanas'ev, A. Stesmans, R. Droopad, M.Passlack, L.F. Edge, D. G. SchlomElectron energy barriers at the interfaces of GaAs(100) with Gd2O3 appear to be insensitive to the Fermi level pinning indicating that charges at interface states are of marginal importance for the band alignment at semiconductor/insulator interfaces. The inferred conduction... (Read more)
- 311. Appl. Phys. Lett. 89, 082908 (2006) , “Negative oxygen vacancies in HfO2 as charge traps in high-k stacks”, J. L. Gavartin, D. Muñoz Ramo, A. L. Shluger, G. Bersuker, and B. H. LeeThe optical excitation and thermal ionization energies of oxygen vacancies in m-HfO2 are calculated using a non-local density functional theory with atomic basis sets and periodic supercell. The thermal ionization energies of negatively charged V and... (Read more)
- 312. Appl. Phys. Lett. 89, 082510 (2006) , “Observation and manipulation of paramagnetic oxygen vacancies in Co-doped TiO2 nanocrystals”, Dengyu Pan, Guoliang Xu, Liya Lv, Yuan Yong, Xiuwei Wang, Jianguo Wan, Guanghou Wang, and Yunxia SuiElectron paramagnetic resonance measurements were presented to investigate paramagnetic oxygen vacancies (F+ centers) in Co-doped TiO2 nanocrystals. Surface and interior F+ centers were manipulated by washing or/and annealing. Anisotropic surface... (Read more)
- 313. Appl. Phys. Lett. 89, 082102 (2006) , “Observation of enhanced defect emission and excitonic quenching from spherically indented ZnO”, V. A. Coleman, J. E. Bradby, C. Jagadish, and M. R. PhillipsThe influence of spherical nanoindentation on the band edge and deep level emission of single crystal c-axis ZnO has been studied by cathodoluminescence (CL) spectroscopy and monochromatic imaging. Excitonic emission is quenched at the indent site and defect emission in the range of... (Read more)
- 314. Appl. Phys. Lett. 89, 072102 (2006) , “Manganese impurities in boron nitride”, L. V. C. Assali, W. V. M. Machado, and J. F. JustoThe authors carried an ab initio investigation on the properties of Mn impurities in BN, presenting results on stability, spin states, magnetic moment, hyperfine parameters, and formation and transition energies. Substitutional Mn in the cation site in BN was compared to that in GaN and GaAs.... (Read more)
- 315. Appl. Phys. Lett. 89, 071916 (2006) , “Migration and redistribution of oxygen vacancy in barium titanate ceramics”, L. Chen, X. M. Xiong, H. Meng, P. Lv, and J. X. ZhangDegradation of barium titanate based multilayer capacitor mainly results from migration and redistribution of oxygen vacancy. For barium titanate ceramics, the authors observe an internal friction relaxation peak around 70 °C due to oxygen vacancy, and its relaxation strength differs greatly... (Read more)
- 316. Appl. Phys. Lett. 89, 063508 (2006) , “Electron trap density distribution of Si-rich silicon nitride extracted using the modified negative charge decay model of silicon-oxide-nitride-oxide-silicon structure at elevated temperatures”, Tae Hun Kim, Il Han Park, Jong Duk Lee, Hyung Cheol Shin, and Byung-Gook ParkThe authors modified the charge decay model of silicon-oxide-nitride-oxide-silicon-type memory at the temperatures above 150 °C. The modified model includes the effect of the internal electric field induced by the charges trapped in silicon nitride layer. The authors extracted the trap density... (Read more)
- 317. Appl. Phys. Lett. 89, 063503 (2006) , “Degradation mechanism of organic light-emitting device investigated by scanning photoelectron microscopy coupled with peel-off technique”, H. J. Shin, M. C. Jung, J. Chung, K. Kim, J. C. Lee, and S. P. LeeThe authors present space-resolved spectroscopic data on organic layers of a degraded organic light-emitting device. The data were obtained using a scanning photoelectron microscope (SPEM) coupled with peel-off technique to directly probe the uncontaminated organic layers, which were covered with... (Read more)
- 318. Appl. Phys. Lett. 89, 061903 (2006) , “Nitrogen related vacancies in GaAs based quantum well superlattices”, J. Slotte, K. Saarinen, E.-M. Pavelescu, T. Hakkarainen, and M. PessaThe authors report on the influence of nitrogen incorporation on vacancies in GaAs based superlattices. The samples were molecular beam epitaxy grown on p-type GaAs substrates with the superlattice structure consisting of ten periods of quantum well material separated by GaAs buffers. Three... (Read more)
- 319. Appl. Phys. Lett. 89, 061103 (2006) , “Field induced photoluminescence quenching and enhancement of CdSe nanocrystals embedded in SiO2”, A. W. Achtstein, H. Karl, and B. StritzkerThe authors describe the operation of an electro-optical photoluminescence quenching device based on CdSe nanoclusters formed using sequential ion implantation of Cd+ and Se+ in thermally grown SiO2 on silicon. A sample geometry consisting of a semitransparent gold... (Read more)
- 320. Appl. Phys. Lett. 89, 053511 (2006) , “Density functional theory study of deep traps in silicon nitride memories”, Max Petersen and Yakov RoizinUsing density functional theory, the interaction of hydrogen with a nitrogen vacancy in -Si3N4 is investigated. A single H atom was found to be energetically favorable over non- and doubly protonated vacancies. The traps composed of excess silicon and hydrogen have negative... (Read more)
- 321. Appl. Phys. Lett. 89, 052114 (2006) , “Fluorine-vacancy complexes in ultrashallow B-implanted Si”, D.A.Abdulmalik and P.G.oleman and N.E.B.Cowern and A.J.Smith and B.J.Sealy and W.Lerch and S.Paul and F.CristianoShallow fluorine-vacancy (FV) complexes in Si have been directly observed using variable-energy positron annihilation spectroscopy and secondary ion mass spectrometry. The FV complexes, introduced to combat the deactivation and transient-enhanced diffusion of ultrashallow boron, were observed in... (Read more)
- 322. Appl. Phys. Lett. 89, 044107 (2006) , “Photoluminescence imaging of silicon wafers”, T. Trupke, R. A. Bardos, M. C. Schubert, and W. WartaPhotoluminescence imaging is demonstrated to be an extremely fast spatially resolved characterization technique for large silicon wafers. The spatial variation of the effective minority carrier lifetime is measured without being affected by minority carrier trapping or by excess carriers in space... (Read more)
- 323. 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)
- 324. Appl. Phys. Lett. 89, 042106 (2006) , “Identification of acceptor states in Li-doped p-type ZnO thin films”, Y. J. Zeng, Z. Z. Ye, J. G. Lu, W. Z. Xu, L. P. Zhu, B. H. Zhao, and Sukit LimpijumnongWe investigate photoluminescence from reproducible Li-doped p-type ZnO thin films prepared by dc reactive magnetron sputtering. The LiZn acceptor state, with an energy level located at 150 meV above the valence band maximum, is identified from free-to-neutral-acceptor transitions.... (Read more)
- 325. Appl. Phys. Lett. 89, 042102 (2006) , “Metal precipitation at grain boundaries in silicon: Dependence on grain boundary character and dislocation decoration”, T. Buonassisi, A. A. Istratov, M. D. Pickett, M. A. Marcus, T. F. Ciszek, and E. R. WeberSynchrotron-based analytical microprobe techniques, electron backscatter diffraction, and defect etching are combined to determine the dependence of metal silicide precipitate formation on grain boundary character and microstructure in multicrystalline silicon (mc-Si). Metal silicide precipitate... (Read more)
- 326. 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)
- 327. Appl. Phys. Lett. 89, 041916 (2006) , “Photoluminescence evaluation of defects generated during SiGe-on-insulator virtual substrate fabrication: Temperature ramping process”, Dong Wang, Seiichiro Ii, Hiroshi Nakashima, Ken-ichi Ikeda, Hideharu Nakashima, Koji Matsumoto, and Masahiko NakamaeCrystal qualities of Si/SiGe/Si-on-insulator structures with different SiGe thicknesses were evaluated by photoluminescence (PL). The wafers were annealed at different temperatures with a ramping rate of 5 °C/min. Free exciton PL peaks were clearly observed for the as-grown wafers and decreased... (Read more)
- 328. Appl. Phys. Lett. 89, 041910 (2006) , “Acceptor segregation and nonlinear current-voltage characteristics in H2-sintered SrTiO3”, Seong-Min Wang and Suk-Joong L. KangThe current-voltage characteristics with acceptor segregation at grain boundaries have been investigated in H2-sintered SrTiO3. Al-added SrTiO3 was sintered in H2 and then annealed in air for selective oxidation of grain boundaries. The samples showed... (Read more)
- 329. Appl. Phys. Lett. 89, 041908 (2006) , “Stress dependence of F+-center cathodoluminescence of sapphire”, Giuseppe Pezzotti, Keshu Wan, Maria Chiara Munisso, and Wenliang ZhuThe rate of spectral shift with applied biaxial stress [piezospectroscopic (PS) coefficient] was determined for the electron-stimulated F+ luminescence emitted from the c plane of sapphire (-Al2O3) as =1.18±0.03 nm/GPa. The PS dependence could be... (Read more)
- 330. Appl. Phys. Lett. 89, 031912 (2006) , “Formation of nanovoids in high-dose hydrogen implanted GaN”, I. Radu, R. Singh, R. Scholz, U. Gösele, S. Christiansen, G. Brüderl, C. Eichler, and V. HärleThe formation of nanovoids upon high-dose hydrogen implantation and subsequent annealing in GaN is investigated by transmission electron microscopy. The epitaxial GaN layers on sapphire were implanted at room temperature with H2+ ions at 100 keV with a dose of... (Read more)
- 331. Appl. Phys. Lett. 89, 031911 (2006) , “Hydrogen-plasma-induced thermal donors in high resistivity n-type magnetic Czochralski-grown silicon”, Y. L. Huang, E. Simoen, C. Claeys, J. M. Rafí, P. Clauws, R. Job, and W. R. FahrnerIn this work, the formation of donors in n-type high resistivity magnetic Czochralski-grown silicon wafers, directly exposed to a hydrogen plasma, is investigated by a combination of capacitance-voltage (C-V) and deep level transient spectroscopy (DLTS) measurements.... (Read more)
- 332. Appl. Phys. Lett. 89, 031902 (2006) , “Anti-Stokes photoluminescence in ZnO microcrystal”, Weitao Cao, Weimin Du, Fuhai Su, and Guohua LiLow temperature (10 K) strong anti-Stokes photoluminescence (ASPL) of ZnO microcrystal excited by low power cw 532 nm laser is reported here. Energy upconversion of 1.1 eV is obtained in our experiment with no conventional nonlinear effect. Through the study of the normal photoluminescence and... (Read more)
- 333. Appl. Phys. Lett. 89, 031116 (2006) , “Er3+ excited state absorption and the low fraction of nanocluster-excitable Er3+ in SiOx”, C. J. Oton, W. H. Loh, and A. J. KenyonDespite the observation by a number of groups of a strong luminescence sensitization effect of erbium ions by excitation exchange from silicon nanoclusters, there is considerable experimental evidence that the fraction of Er ions excited by Si-nc is actually very low for much of the material... (Read more)
- 334. Appl. Phys. Lett. 89, 013508 (2006) , “Carrier trap passivation in multicrystalline Si solar cells by hydrogen from SiNx:H layers”, H. F. W. Dekkers, L. Carnel, and G. BeaucarneHydrogenation by high temperature rapid annealing of SiNx:H is found to be very effective on the defects responsible for the carrier trapping effect in multicrystalline silicon. The passivation effect is reversible and is annihilated by a long thermal annealing. As for the... (Read more)
- 335. Appl. Phys. Lett. 89, 012508 (2006) , “Ferromagnetism in Fe-implanted a-plane ZnO films”, P. Wu, G. Saraf, Y. Lu, D. H. Hill, R. Gateau, L. Wielunski, R. A. Bartynski, D. A. Arena, J. Dvorak, A. Moodenbaugh, T. Siegrist, J. A. Raley, and Yung Kee YeoFe ions of dose 5×1016 cm2 were implanted at 200 keV into a-plane ZnO epitaxial films. The epitaxial quality of the postannealed samples was verified by x-ray diffraction -rocking curves and scans, whereas x-ray absorption spectroscopy identified the... (Read more)
- 336. Appl. Phys. Lett. 89, 012505 (2006) , “Diffusion and clustering of substitutional Mn in (Ga,Mn)As”, Hannes Raebiger, Maria Ganchenkova, and Juhani von BoehmThe Ga vacancy mediated microstructure evolution of (Ga,Mn)As during growth and postgrowth annealing is studied using a multiscale approach. The migration barriers for the Ga vacancies and substitutional Mn together with their interactions are calculated using first principles, and temporal... (Read more)
- 337. 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)
- 338. Appl. Phys. Lett. 88, 261906 (2006) , “Relationship between binding site and pressure dependence for defect-hydrogen complexes in ZnO”, M. G. Wardle, J. P. Goss, and P. R. BriddonThe effect of hydrostatic pressure on local vibrational modes of hydrogen defects in ZnO has been studied by first-principles methods. We find that the sign and magnitude of the frequency shift rate are strongly dependent on the local environment. In the case of isolated hydrogen, the bond centered... (Read more)
- 339. Appl. Phys. Lett. 88, 261102 (2006) , “Light-emitting defects and epitaxy in alkali-ion-implanted α quartz”, J. Keinonen, S. Gsiorek, P. K. Sahoo, S. Dhar, and K. P. LiebLight-emitting centers in alkali-ion-implanted quartz have been investigated with respect to the solid phase epitaxial growth of the ion irradiation induced amorphous zone. Cathodoluminescence was studied under the conditions of chemical epitaxy in annealing the samples, implanted with... (Read more)
- 340. Appl. Phys. Lett. 88, 253504 (2006) , “Single silicon vacancy-oxygen complex defect and variable retention time phenomenon in dynamic random access memories”, T. Umeda, K. Okonogi, K. Ohyu, S. Tsukada, K. Hamada, S. Fujieda, and Y. MochizukiThe variable retention time phenomenon has recently been highlighted as an important issue in dynamic random access memory (DRAM) technology. Based on electrically detected magnetic resonance and simulation studies, we suggest that a single Si vacancy-oxygen complex defect is responsible for this... (Read more)
- 341. Appl. Phys. Lett. 88, 252109 (2006) , “Origin of the n-type conductivity of InN: The role of positively charged dislocations”, L. F. J. Piper, T. D. Veal, C. F. McConville, Hai Lu, and W. J. SchaffAs-grown InN is known to exhibit high unintentional n-type conductivity. Hall measurements from a range of high-quality single-crystalline epitaxially grown InN films reveal a dramatic reduction in the electron density (from low 1019 to low 1017 cm3)... (Read more)
- 342. Appl. Phys. Lett. 88, 242508 (2006) , “Thermal limits on field alignment of nanoparticle FePt media”, J. A. Bain, W. F. Egelhoff, Jr.We derive a simple expression for the average angular orientation distribution of ferromagnetic FePt particles in an applied field in thermal equilibrium. This system is closely related to the Langevin expression for paramagnetic susceptibility, which computes the average orientation of particles in... (Read more)
- 343. Appl. Phys. Lett. 88, 242112 (2006) , “High temperature nitrogen annealing induced interstitial oxygen precipitation in silicon epitaxial layer on heavily arsenic-doped silicon wafer”, Q. Wang and Manmohan DaggubatiHigh temperature nitrogen annealing induced interstitial oxygen (Oi) precipitation has been investigated in silicon epitaxial layers (epilayers) grown on heavily arsenic-doped Czochralski silicon wafers. Both transmission electron microscopy and secondary ion mass spectrometry data... (Read more)
- 344. Appl. Phys. Lett. 88, 242110 (2006) , “Electrical characterization of defects introduced during electron beam deposition of Pd Schottky contacts on n-type Ge”, F. D. Auret, W. E. Meyer, S. Coelho, and M. HayesWe have investigated by deep level transient spectroscopy the hole and electron trap defects introduced in n-type Ge during electron beam deposition (EBD) of Pd Schottky contacts. We have also compared the properties of these defects with those introduced in the same material during... (Read more)
- 345. Appl. Phys. Lett. 88, 233113 (2006) , “Strain relaxation and induced defects in InAsSb self-assembled quantum dots”, J. F. Chen, R. S. Hsiao, W. D. Huang, Y. H. Wu, L. Chang, J. S. Wang, J. Y. ChiThe onset of strain relaxation and induced defects in InAs0.94Sb0.06 quantum dots are investigated. We show that the relaxation causes partial carrier depletion in the dots and drastic carrier depletion in the top GaAs layer due to the introduction of two defect traps at 0.35... (Read more)
- 346. Appl. Phys. Lett. 88, 224102 (2006) , “Imaging defects in strained-silicon thin films by glancing-incidence x-ray topography”, D. R. Black, J. C. Woicik, M. Erdtmann, T. A. LangdoX-ray topographical images from thin (50 nm) strained-Si films grown on relaxed, planarized crystalline SiGe-on-Si (001) virtual substrates have been imaged by glancing-incidence monochromatic x-ray topography. This extremely asymmetric diffraction geometry, utilizing (311) diffraction planes, can... (Read more)
- 347. Appl. Phys. Lett. 88, 212112 (2006) , “Reliability of thermally oxidized SiO2/4H-SiC by conductive atomic force microscopy”, Patrick Fiorenza and Vito RaineriThe dielectric breakdown (BD) kinetics of silicon dioxide (SiO2) thin films thermally grown on 4H-SiC was determined by comparison between I-V measurements on large area (up to 1.96×105 cm2) metal-oxide-semiconductor structures and... (Read more)
- 348. Appl. Phys. Lett. 88, 212102 (2006) , “Experimental determination of the local geometry around In and In–C complexes in Si”, F. d'Acapito, Y. Shimizu, S. Scalese, M. Italia, P. Alippi, S. GrassoThe electrical properties of dopants in Si are of primary importance for the realization of electronic devices. Indium represents a promising p-type dopant whose electrical properties are improved by codoping with C. From theoretical studies In and C are expected to pair in the Si matrix in... (Read more)
- 349. Appl. Phys. Lett. 88, 211910 (2006) , “Optical properties of shuffle dislocations in silicon”, S. Pizzini, S. Binetti, A. Le Donne, A. Marzegalli, J. RabierThe radiative recombination processes in dislocated float zone silicon samples deformed under gigapascal stresses were studied by photoluminescence (PL) spectroscopy. The observed shuffle dislocations present a reconstructed core and their generation is accompanied by the introduction of point... (Read more)
- 350. Appl. Phys. Lett. 88, 201918 (2006) , “Diffusion of zinc vacancies and interstitials in zinc oxide”, Paul Erhart and Karsten AlbeThe self-diffusion coefficient of zinc in ZnO is derived as a function of the chemical potential and Fermi level from first-principles calculations. Density functional calculations in combination with the climbing image-nudged elastic band method are used in order to determine migration barriers for... (Read more)
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