Quantum-Well Boron and Phosphorus Diffusion Profiles in Silicon

Bagraev, N. T.; Gehlhoff, W.; Klyachkin, L. E.; Näser, A.; Rykov, S. A.

doi:10.4028/www.scientific.net/ddf.143-147.1003

Cited by 24 publications

(11 citation statements)

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“…40 The competitive diffusion of probably neutral vacations and/or interstitials from a-SiO 2 to Si at the a-SiO 2 /Si boundary is a hot question of shallow dopation of silicon. 41,42 The CC approach permits to transfer the results obtained for crystalline SiO 2 to a-SiO 2 and to work with a wide range of the OÀ ÀSiÀ ÀO geometries. The SiÀ ÀO distance and SiÀ ÀOÀ ÀSi angle of a-SiO 2 , simulated by the usual computational approach, 43 is in agreement with the experiment 44 and corresponds to 1358 with average deviation of 158, while average SiÀ ÀO distance is 1.61 Å .…”

Section: Discussionmentioning

confidence: 99%

Point atomic multipole moments for simulation of electrostatic potential and field in all‐siliceous zeolites

Larin¹

2011

J Comput Chem

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Calibration method of atomic multipole moments (AMMs) is presented with respect to geometries of all-siliceous zeolite models obtained with X-ray diffraction (XRD) methods. Mulliken atomic charges and AMMs are calculated for all-siliceous types possessing small size elementary unit cells at the hybrid density functional theory (DFT) (B3LYP) and general gradient approximation (GGA) Perdew-Burke-Ernzerhof (PBE) levels and then used to fit the dependences versus geometry variables for the Mulliken charges and versus special coordinate for the AMMs. Fitted and exact charges and AMMs are used to compute electrostatic potential (EP) and electric field (EF) for all-siliceous zeolites with CRYSTAL. A possibility of application of the point AMMs to quantum mechanical/molecular mechanics computations or classic simulation of physical adsorption is evaluated. The considered models expand over wide range of structural parameters and could be applied even to amorphous all-siliceous systems.

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Section: Discussionmentioning

confidence: 99%

Point atomic multipole moments for simulation of electrostatic potential and field in all‐siliceous zeolites

Larin¹

2011

J Comput Chem

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“…Great opportunities to produce different types of self-ordering nanostructures such as quantum wires and crystallography-oriented quantum dot systems are provided by means of a method of molecular beam epitaxy [180], as well as ion implantation and non-equilibrium impurity diffusion methods [181]. As the method of atomic layer deposition (ALD) [182], they are widely applied in modern technology of semiconductors and nanoelectronics in the synthesis of other functional materials in planar technology [183][184][185].…”

Section: Fig 16 the Distribution Of Stationary (A) And Flash (B) Mamentioning

confidence: 99%

High-temperature superconductivity: From macro- to nanoscale structures

Коваленко¹

2016

Nanosystems: Phys. Chem. Math.

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The analysis of achievements, problems and prospects of high-temperature superconductivity (HTSC) in the macro-and nanostructured materials has been given. The main experimental results and theoretical models describing the physical mechanisms of the superconductivity appearance at phenomenological and microscopic levels, including change in the energy spectrum of atoms in these materials with the advent of the 'superconducting' gap at temperatures below the critical transition, as well as the above-critical temperature 'pseudo-gap' have been analyzed.Although the origin of the pseudo-gap is not completely understood, it can be considered as an independent phase transition in the substance prior to the transition to the zero resistance state and insusceptibility (or insensitivity) to external magnetic field in high-temperature superconductors. Features of multi-gap and gapless superconducting materials as well as their ability to further increase the temperature of supercritical transition are discussed. Large resources to create the necessary electron and phonon spectra in the process of high-temperature superconductivity formation are associated with the use of nanoscale structures and nanoparticles of conductors and dielectrics. Electrical conductive contacts between nanoparticles and tunnel chains of nanoclusters, where delocalized electron spectra form similar energy shells to the atomic or nuclear shells, play a significant part here. It is required to further investigate the occurrence of high-temperature superconductivity at the level of interphase layers (non-autonomous phases) in nanostructures containing a large fraction of the substance in this condition. It is essential to develop adequate methods for synthesis of nanoparticles of variable size, structure and morphology, as well as techniques for their consolidation that would ensure the preservation of superconductivity of individual nanoparticles, their chemical, thermal, magnetic and current stability in the dissipative processes with functional and fluctuation effects.

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“…1 021 cm3 can be achieved (Fig.2). Cyclotron resonance studies and currentvoltage (CV) measurements performed at different angles between the diffusion profile plane and the bias voltage have shown that such p-diffusion profiles consist predominantly of the SLQW (Fig.3) [1,2]. The dynamic quantum wires and dots have been revealed by the quantized conductance (QC), EPR-EDEPR and NMR methods at the edges of the SLQW, which are created by the electrostatic ordering of the dipole negative-U centres [2].…”

Section: Introductionmentioning

confidence: 99%

“…Self-assembly longitudinal silicon quantum wells (SLQW) are naturally formed inside the ultra-shallow ptdiffusion profiles prepared using non-equilibrium boron diffusion into the n-type silicon (1 00)-wafers [1]. By varying the parameters of the surface oxide overlayer, the Cl levels in the gas phase and diffusion temperature which adjust the excess fluxes of selfinterstitials and vacancies emerging from monocrystalline surface, it was possible to define both the kick-out and dissociative vacancy mechanism of the non-equilibrium impurity diffusion (Fig.…”

Section: Introductionmentioning

confidence: 99%