Vacancy clustering and diffusion in germanium using kinetic lattice Monte Carlo simulations

Kang, Jeong-Won; Choi, Yun Seok; Lee, J.H.; Lee, S.H.; Oh, Hyun Jung

doi:10.1080/08927020802395427

Cited by 3 publications

(3 citation statements)

References 27 publications

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“…In the case of Ge implantation with high energy of 180 keV, the tail is observed even below 1 lm deep region without additional annealing process. In addition, V Ge and Ge i are uniformly distributed from surface to bulk regions after the long time annealing process due to the high diffusivity values of Ge i (1 Â 10 À5 cm 2 /s at 600 C) and V Ge (4.8 Â 10 À8 cm 2 /s at 600 C), 18 consequently making the Frenkel pairs recombination to occur at both surface and bulk regions. Very high p-type concentration was observed in the as-implanted sample due to V Ge with acceptor level at 0.20 eV above the top of the Ge valence band.…”

Section: Resultsmentioning

confidence: 99%

“…4(a)), the diffusivity of P atoms was estimated to be 7.09 Â 10 À16 cm 2 /s at 550 C, which was much slower than that of V Ge (4.12 Â 10 À8 cm 2 /s). 18 A number of V Ge left near surface region due to preferential momentum transfer 22 are also expected to be distributed uniformly from surface to bulk region by its high diffusivity at each annealing temperatures. Since the V Ge which is not healed after annealing at 550 C acts as a recombination trap center in Ge n þ /p junction interface, a high generation current (I G ) was observed in the junction sample annealed at 550 C. Above 600 C, because the number of V Ge was significantly decreased, the annealed junction sample showed dramatic decrease of off-current density while maintaining on-current density, which subsequently provided a higher on/off-current ratio of 5 Â 10 3 .…”

Section: Resultsmentioning

confidence: 99%

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Effects of point defect healing on phosphorus implanted germanium n+/p junction and its thermal stability

Shim

Shin

Lee

et al. 2013

Journal of Applied Physics

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In this work, the effect of Ge point defect healing process between 550 °C and 650 °C is investigated, in the aspect of leakage (off) current and junction depth of Ge n+/p junction diodes using ECV, TEM, J-V, and SIMS analyses. After 600 °C anneal, off-current density (2 × 10−4 A/cm2) is dramatically reduced due to the defect healing phenomenon that decreases the number of point defects, subsequently providing a higher on/off-current ratio of 5 × 103. In spite of the high healing temperature, junction diodes seem not to suffer from the deep diffusion of phosphorus (P) in Ge because those diffuse mostly through VGe. In addition, it is also confirmed that Ti is an appropriate material in terms of diffusion barrier and diffusivity for Ge n+/p junction contact metal.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Effects of point defect healing on phosphorus implanted germanium n+/p junction and its thermal stability

Shim

Shin

Lee

et al. 2013

Journal of Applied Physics

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“…The migration and formation energies of point defects in germanium crystals have been studied by Śpiewak et al [ 3 ] and Kang et al [ 5 ] based on atomic simulations. Śpiewak et al calculated the vacancy and self-interstitial migration and formation energies using MD simulations based on several empirical potentials and compared their results to DFT and experimental values.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic Formation Properties of Point Defects in Germanium Crystal

Luo

Zhou

et al. 2022

Materials

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Point defects are crucial in determining the quality of germanium crystals. A quantitative understanding of the thermodynamic formation properties of the point defects is necessary for the subsequent control of the defect formation during crystal growth. Here, molecular dynamics simulations were employed to investigate the formation energies, total formation free energies and formation entropies of the point defects in a germanium crystal. As far as we know, this is the first time that the total formation free energies of point defects in a germanium crystal have been reported in the literature. We found that the formation energies increased slightly with temperature. The formation free energies decreased significantly with an increase in temperature due to the increase in entropy. The estimated total formation free energies at the melting temperature are ~1.3 eV for self-interstitial and ~0.75 eV for vacancy, corresponding to a formation entropy of ~15 kB for both types of point defects.

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A general method for spatially coarse-graining Metropolis Monte Carlo simulations onto a lattice

Liu

Seider

Sinno

2013

The Journal of Chemical Physics

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A recently introduced method for coarse-graining standard continuous Metropolis Monte Carlo simulations of atomic or molecular fluids onto a rigid lattice of variable scale [X. Liu, W. D. Seider, and T. Sinno, Phys. Rev. E 86, 026708 (2012)] is further analyzed and extended. The coarse-grained Metropolis Monte Carlo technique is demonstrated to be highly consistent with the underlying full-resolution problem using a series of detailed comparisons, including vapor-liquid equilibrium phase envelopes and spatial density distributions for the Lennard-Jones argon and simple point charge water models. In addition, the principal computational bottleneck associated with computing a coarse-grained interaction function for evolving particle positions on the discretized domain is addressed by the introduction of new closure approximations. In particular, it is shown that the coarse-grained potential, which is generally a function of temperature and coarse-graining level, can be computed at multiple temperatures and scales using a single set of free energy calculations. The computational performance of the method relative to standard Monte Carlo simulation is also discussed.

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Vacancy clustering and diffusion in germanium using kinetic lattice Monte Carlo simulations

Cited by 3 publications

References 27 publications

Effects of point defect healing on phosphorus implanted germanium n+/p junction and its thermal stability

Effects of point defect healing on phosphorus implanted germanium n+/p junction and its thermal stability

Thermodynamic Formation Properties of Point Defects in Germanium Crystal

A general method for spatially coarse-graining Metropolis Monte Carlo simulations onto a lattice

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