Your search for "Liu Jian-Dang" returned 8 results

Many methods are used to calculate the positron lifetime, these methods could be divided into two main types. The first method is atomic superposition approximation method and the second one is the so called energy band calculation method. They are also known as the non-self-consistent field method and self-consistent field method respectively. In this paper, we first introduce the two basic methods and then, we take Si as an example and give our calculation results, these results coincide with our latest experimental results, finally, we discuss the advantages and disadvantages of the two methods.

This paper studies the pressure-induced phase transition between zincblende (B3) and NaCl (B1) structure ZnSe by using the hydrostatic pressure first-principles pseudopotential plane wave method. The energy-volume and enthalpy—pressure curves are employed to estimate the transition pressure. It is found that ZnSe undergoes a first-order phase transition from the B3 structure to the B1 structure at approximately 15 GPa derived from the energy-volume relation and 14 GPa based on deduction from enthalpy—pressure data. The pressure-related positron bulk lifetimes of the two ZnSe structures are calculated with the atomic superposition approximation method. In comparison with the 13.4% reduction in volume of ZnSe at the transition pressure, the positron bulk lifetime decreases more significantly and the relative value declines up to 22.3%. The results show that positron annihilation is an effective technique to identify and characterize the first-order phase transition and can give valuable information about changes in micro-scale, such as volume shrinkage and compressibility.

Based on the atomic superposition approximation (ATSUP) and first-principles pseudopotential plane-wave methods, the bulk and Mg mono-vacancy positron lifetime of magnesium oxide were calculated using Arponen—Pajamme and Boroński—Nieminen positron-annihilation-rate interpolation formula respectively. The calculated values are in good agreement with experimental values and the first-principles method gives more convincing results. The positron annihilation density spectra analysis reveals that positrons mainly annihilate with valence electrons of oxygen atoms when the magnesium-vacancy appears within magnesium oxide.

The charge-state-dependent lattice relaxation of mono-vacancy in silicon is studied using the first-principles pseudopotential plane-wave method. We observe that the structural relaxation for the first-neighbor atoms of the mono-vacancy is strongly dependent on its charge state. The difference in total electron density between with and without charge states in mono-vacancy and its relevant change due to the localized positron are also examined by means of first-principles simulation, demonstrating the strong interplay between positron and electron. Our calculations reveal that the positron lifetime decreases with absolute charge value increasing.

A new slow pulsed positron beam, including a positron source, a moderator, a chopper, a pre-buncher, a main-buncher and a sample chamber, etc, has been installed and tested. It is necessary to simulate the acceleration, transportation and space focusing of positrons to meet the needs of beam debugging and further positron annihilation experiments. The result from SIMION simulations shows that the radius of the focused positron beam is less than 5 mm, which is further confirmed in our practical debugging process.

For the proper interpretation of the experimental data produced in slow positron beam technique, the positron implantation properties are studied carefully using the latest Geant4 code. The simulated backscattering coefficients, the implantation profiles, and the median implantation depths for mono-energetic positrons with energy range from 1 keV to 50 keV normally incident on different crystals are reported. Compared with the previous experimental results, our simulation backscattering coefficients are in reasonable agreement, and we think that the accuracy may be related to the structures of the host materials in the Geant4 code. Based on the reasonable simulated backscattering coefficients, the adjustable parameters of the implantation profiles which are dependent on materials and implantation energies are obtained. The most important point is that we calculate the positron backscattering coefficients and median implantation depths in amorphous polymers for the first time and our simulations are in fairly good agreement with the previous experimental results.

We make a gradient correction to a new local density approximation form of positron–electron correlation. The positron lifetimes and affinities are then probed by using these two approximation forms based on three electronic-structure calculation methods, including the full-potential linearized augmented plane wave (FLAPW) plus local orbitals approach, the atomic superposition (ATSUP) approach, and the projector augmented wave (PAW) approach. The differences between calculated lifetimes using the FLAPW and ATSUP methods are clearly interpreted in the view of positron and electron transfers. We further find that a well-implemented PAW method can give near-perfect agreement on both the positron lifetimes and affinities with the FLAPW method, and the competitiveness of the ATSUP method against the FLAPW/PAW method is reduced within the best calculations. By comparing with the experimental data, the new introduced gradient corrected correlation form is proved to be competitive for positron lifetime and affinity calculations.

We experimentally studied ion behavior and interelectrode breakdown voltage. The ion behavior of a drift tube directly influences the detection of ion intensity, and then influences the detection sensitivity of a system. Interelectrode voltage and pressure directly influence the ion behavior. Gas discharge between electrodes influences the adjustments required for interelectrode voltage. The experimental results show: ion intensity increases exponentially with the increment of voltage between drift electrodes; ion intensity decreases exponentially as pressure increases; with the increment of pressure, the breakdown voltage at first decreases, and then increases; ion injection has a significant influence on breakdown voltage, and this influence depends on the pressure and shapes of the electrodes. We explain the results above through assumptions and by mathematical methods.