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- 1. phys. stat. sol. (b) 245, 1298-1314 (2008) , “EPR identification of intrinsic defects in SiC”, J. Isoya, T. Umeda, N. Mizuochi, N. T. Son, E. Janzen, T. OhshimaThe structure determination of intrinsic defects in 4H-SiC, 6H-SiC, and 3C-SiC by means of EPR is based on measuring the angular dependence of the 29Si/13C hyperfine (HF) satellite lines, from which spin densities, sp-hybrid ratio, and p-orbital direction can be determined over... (Read more)Si SiC diamond| EPR Theory electron-irradiation thermal-meas./anneal-exp.| +1 -1 0(neutral) 1.0eV~ 13C 29Si C1h C3v Carbon Csi D2d EI5/6 HEI1 HEI9/10 P6/7 Silicon T1 Td Tv2a V1/2/3 Vc Vsi antisite dangling-bond mono(=1) motional-effect n-type p-type pair(=2) quartet semi-insulating spin-relaxation triplet vacancy .inp files: SiC/Baranov/Baranov_g.inp SiC/EI5_C1h/5.inp SiC/EI5_C3v/5.inp SiC/EI6_RT/6.inp SiC/HEI10/HEI10a.inp SiC/HEI10/HEI10b.inp SiC/HEI1_C1h/1.inp SiC/HEI9/HEI9a.inp SiC/HEI9/HEI9b.inp SiC/SI5_C1h/4.inp SiC/Ky2/Ky2.inp SiC/Tv2a/Main.INP SiC/Vsi-_II_4H/Main.INP SiC/Vsi-_II_6H/Main.INP SiC/Vsi-_I_4H/Main.INP SiC/Vsi-_I_6H/Main.INP | last update: Takahide Umeda
- 2. 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)
- 3. Phys. Rev. B 75, 075202 (2007) , “Theoretical study of Li and Na as n-type dopants for diamond”, J. P. Goss and P. R. BriddonPhosphorus is the n-type dopant of choice for diamond, but results in a deep donor level and alternatives are being sought. One possibility is the incorporation of interstitial alkali metal impurities such as Li and Na. We present the results of density-functional calculations used to predict... (Read more)
- 4. 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)
- 5. Phys. Rev. B 74, 245217 (2006) , “Donor levels for selected n-type dopants in diamond: A computational study of the effect of supercell size”, J. P. Goss, P. R. Briddon, and R. J. EyreComputational techniques are key predictive tools in the drive to engineer semiconductive materials. Diamond, intrinsically a wide band-gap insulator, can be made to semiconduct n-type by doping with phosphorus. However, the relatively deep level at Ec−0.6 eV... (Read more)
- 6. Phys. Rev. B 74, 245216 (2006) , “Influence of excited states of a deep substitutional dopant on majority-carrier concentration in semiconductors”, Hideharu MatsuuraThe density (NA) and energy level (EA) of an acceptor in a p-type wide-band-gap semiconductor (e.g., SiC, GaN, and diamond) are determined by a least-squares fit of the charge neutrality equation to the temperature dependence of the hole... (Read more)
- 7. Phys. Rev. B 74, 104303 (2006) , “Nitrogen-vacancy center in diamond: Model of the electronic structure and associated dynamics”, N. B. Manson, J. P. Harrison, and M. J. SellarsSymmetry considerations are used in presenting a model of the electronic structure and the associated dynamics of the nitrogen-vacancy center in diamond. The model accounts for the occurrence of optically induced spin polarization, for the change of emission level with spin polarization and for new... (Read more)
- 8. Phys. Rev. B 73, 245211 (2006) , “Hydrogen and muonium in diamond: A path-integral molecular dynamics simulation”, Carlos P. Herrero, Rafael Ramírez, and Eduardo R. HernándezIsolated hydrogen, deuterium, and muonium in diamond have been studied by path-integral molecular dynamics simulations in the canonical ensemble. Finite-temperature properties of these point defects were analyzed in the range from 100 to 800 K. Interatomic interactions were modeled by a... (Read more)
- 9. Physica B 376-377, 358-361 (2006) , “Pulsed EPR studies of Phosphorus shallow donors in diamond and SiC”, J. Isoya, M. Katagiri, T. Umeda, S. Koizumi, H. Kanda, N. T. Son, A. Henry, A. Gali, E. JanzénPhosphorus shallow donors having the symmetry lower than Td are studied by pulsed EPR. In diamond:P and 3C–SiC:P, the symmetry is lowered to D2d and the density of the donor wave function on the phosphorus atom exhibits a predominant p-character. In 4H–SiC:P with the site symmetry of... (Read more)
- 10. Phys. Rev. B 66, 161202(R) (2002) , “Phosphorus and sulphur doping of diamond”, L. G. Wang and Alex ZungerPrevious calculations on n-type doping of diamond by P and S predicted that S has a shallower level and a higher solubility than P. Our first-principles calculations show that the opposite is true: Phosphorus impurity in diamond gives rise to a shallower donor level, and has a higher bulk solid... (Read more)
- 11. phys. stat. sol. (b) 210, 13 (1999) , “Neutral Vacancies in Group-IV Semiconductors”, A. Zywietz, J. Furthmüller, F. BechstedtAb initio plane-wave-supercell calculations are performed for the neutral monovacancies in silicon, silicon carbide and diamond using ultrasoft non-normconserving Vanderbilt pseudopotentials. We study the structure, the energetics and the single-particle energy spectrum. The local symmetry, the... (Read more)
- 12. phys. stat. sol. (b) 210, 13 (1998) , “Neutral Vacancies in Group-IV Semiconductors”, A. Zywietz, J. Furthmüller, F. BechstedtAb initio plane-wave-supercell calculations are performed for the neutral monovacancies in silicon, silicon carbide and diamond using ultrasoft non-normconserving Vanderbilt pseudopotentials. We study the structure, the energetics and the single-particle energy spectrum. The local symmetry, the... (Read more)
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