Molecular-dynamics simulation of Ge rapidly cooled from the molten state into the amorphous state

Bording, J. K.

doi:10.1103/physrevb.62.7103

Cited by 30 publications

(19 citation statements)

References 18 publications

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“…However, the way of estimating crystal phase merely according to the statistics of coordination number is not be very reliable. For example, amorphous germanium consists of 90% atoms with coordination number 4, about 10% fivefold coordinated atoms, and a small number of sixfold coordinated atoms [27], which could be easily mistaken for the mixed structure of the three phases mentioned above if the judgment criterion is just the statistic of the coordination number. Hence, in this paper, atoms with the same coordination number forming an area with the ordered structure are considered as the relevant crystal phase.…”

Section: Resultsmentioning

confidence: 99%

“…However, the loading amorphous structure is different in coordination numbers from the unloading amorphous state. The latter is more similar with the amorphous germanium in normal condition [27,29]. Theoretical investigation using the Tersoff potential showed that a gradual low-density to high-density amorphous transformation occurred [29], and the high-density amorphous phase is similar to liquid Ge.…”

Section: Discussionmentioning

confidence: 99%

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Nanoindentation-induced phase transformation and structural deformation of monocrystalline germanium: a molecular dynamics simulation investigation

Lai

Zhang

2013

Nanoscale Res Lett

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Molecular dynamics simulations were conducted to study the nanoindentation of monocrystalline germanium. The path of phase transformation and distribution of transformed region on different crystallographic orientations were investigated. The results indicate the anisotropic behavior of monocrystalline germanium. The nanoindentation-induced phase transformation from diamond cubic structure to β-tin-Ge was found in the subsurface region beneath the tool when indented on the (010) plane, while direct amorphization was observed in the region right under the indenter when the germanium was loaded along the [101] and [111] directions. The transformed phases extend along the < 110 > slip direction of germanium. The depth and shape of the deformed layers after unloading are quite different according to the crystal orientation of the indentation plane. The study results suggest that phase transformation is the dominant mechanism of deformation of monocrystalline germanium film in nanoindentation.

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Section: Resultsmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Nanoindentation-induced phase transformation and structural deformation of monocrystalline germanium: a molecular dynamics simulation investigation

Lai

Zhang

2013

Nanoscale Res Lett

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“…33 The Tersoff inter-atomic potential notably overestimates the melting temperature. Reported values in the literature obtained with this potential by different methods range from 2554 K to 3300 K for Ge 34,35 and from 2000 K to 3000 K for Si. 14,19,34,36,37 The Stillinger-Weber potential, initially only proposed for Si, was adapted by Ding et al to model Ge, obtaining a very high melting temperature.…”

Section: Simulation Schemementioning

confidence: 99%

Molecular dynamics simulations of damage production by thermal spikes in Ge

López¹,

Pelaz²,

Santos³

et al. 2012

Journal of Applied Physics

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Molecular dynamics simulation techniques are used to analyze damage production in Ge by the thermal spike process and to compare the results to those obtained for Si. As simulation results are sensitive to the choice of the inter-atomic potential, several potentials are compared in terms of material properties relevant for damage generation, and the most suitable potentials for this kind of analysis are identified. A simplified simulation scheme is used to characterize, in a controlled way, the damage generation through the local melting of regions in which energy is deposited. Our results show the outstanding role of thermal spikes in Ge, since the lower melting temperature and thermal conductivity of Ge make this process much more efficient in terms of damage generation than in Si. The study is extended to the modeling of full implant cascades, in which both collision events and thermal spikes coexist. Our simulations reveal the existence of bigger damaged or amorphous regions in Ge than in Si, which may be formed by the melting and successive quenching induced by thermal spikes. In the particular case of heavy ion implantation, defect structures in Ge are not only bigger, but they also present a larger net content in vacancies than in Si, which may act as precursors for the growth of voids and the subsequent formation of honeycomb-like structures.

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“…On the other hand, Si atoms were mostly organized in a single and extensive structure. Cluster and ring statistics provide important information, respectively, on the phase separation and the medium range order of the system [18,19]. Radial pair distribution functions cannot provide any information about these properties.…”

Section: Methodsmentioning

confidence: 98%

On the reversibility of hydrogen effects on the properties of amorphous silicon carbide

Silva

Justo

Fazzio

2004

Journal of Non-Crystalline Solids

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Molecular-dynamics simulation of Ge rapidly cooled from the molten state into the amorphous state

Cited by 30 publications

References 18 publications

Nanoindentation-induced phase transformation and structural deformation of monocrystalline germanium: a molecular dynamics simulation investigation

Nanoindentation-induced phase transformation and structural deformation of monocrystalline germanium: a molecular dynamics simulation investigation

Molecular dynamics simulations of damage production by thermal spikes in Ge

On the reversibility of hydrogen effects on the properties of amorphous silicon carbide

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