Ab initio investigation of boron diffusion paths in germanium

Janke, C.; Jones, R.; Öberg, Sven; Briddon, P.R.

doi:10.1007/s10854-006-9071-x

Cited by 18 publications

(19 citation statements)

References 21 publications

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“…Experimental studies determined that B has a very high migration activation energy. 4 Recently, ab initio studies by Janke et al 51 were consistent with the experimental results and predicted that B diffusion in Ge is interstitially mediated. It is also interesting to note that the BV pair was predicted to be unstable.…”

Section: B Association Barriers Of Av Near Cmentioning

confidence: 53%

“…46 and 47͒ and the self-interstitial ͑most stable neutral structure is the ͗110͘ dumbbell͒ 48 formation energies from 2.3 to 4.1 eV. [49][50][51] Consequently, in Ge, self-interstitials are not as important as in Si and most diffusion processes are dominated by V. [9][10][11][12] A significant exception to the V domination of diffusion processes in Ge occurs for B. Experimental studies determined that B has a very high migration activation energy.…”

Section: B Association Barriers Of Av Near Cmentioning

confidence: 99%

“…It is also interesting to note that the BV pair was predicted to be unstable. 23,51 It should be appreciated that V-mediated diffusion in the Ge lattice is not a simple exchange of the dopant and the V, as subsequent exchanges of the dopant with the same V will not result in net migration of the dopant. In fact, in the diamond crystal structure, the V must move to the third-nearestneighbor site in order to return along a different path.…”

Section: B Association Barriers Of Av Near Cmentioning

confidence: 99%

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Diffusion and defect reactions between donors, C, and vacancies in Ge. II. Atomistic calculations of related complexes

et al. 2008

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Electronic structure calculations are used to study the stability, concentration, and migration of vacancydonor ͑phosphorus, arsenic, and antimony͒ complexes in germanium, in the presence of carbon. The association of carbon with mobile vacancy-donor pairs can lead to energetically favorable and relatively immobile complexes. It is predicted that the complexes formed between lattice vacancies, carbon, and antimony substitutional atoms are more stable and less mobile compared to complexes composed of vacancies, carbon, and phosphorus or arsenic atoms. Then, with the use of mass action analysis, the relative concentrations of the most important complexes are calculated, which depend also on their relative stability not just their absolute stability. Overall, the theoretical predictions are consistent with experimental results, which determined that the diffusion of vacancy-donor defects is retarded in the presence of carbon, especially in samples with a high concentration of carbon. In addition, the calculations provide information on the structure and the equilibrium concentration of the most important complexes and details of their association energies.

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Section: B Association Barriers Of Av Near Cmentioning

confidence: 53%

Section: B Association Barriers Of Av Near Cmentioning

confidence: 99%

Section: B Association Barriers Of Av Near Cmentioning

confidence: 99%

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Diffusion and defect reactions between donors, C, and vacancies in Ge. II. Atomistic calculations of related complexes

et al. 2008

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“…This indicates that B atoms are not likely associated with V. This is confirmed by density functional theory (DFT) investigations that reveal that the mobile BV pair is unstable. 38,39 The high diffusion activation enthalpy of B rather indicates a diffusion of B via I. An I-mediated diffusion is supported by the DFT study of Janke et al 38 and experimentally by the enhanced diffusion of B under a I supersaturation established by irradiation.…”

mentioning

confidence: 91%

“…Moreover, donor diffusion exceeds Ge self-diffusion and increases from P to Sb. On the other hand, the diffusion of the p-type dopants is very similar to self-diffusion and in the case of B [38][39][40][41] even significantly lower. 14,22 The slow diffusion of the acceptor dopants and in particular of B is very advantageous for the formation of ultra shallow acceptor doped regions in Ge.…”

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confidence: 93%

Diffusion ofn-type dopants in germanium

Chroneos¹,

Bracht²

2014

Applied Physics Reviews

163

114

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Impurity diffusion, point defect engineering, and surface/interface passivation in germanium

Chroneos

Schwingenschlögl

2012

Annalen der Physik

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In recent years germanium has been emerging as a mainstream material that could have important applications in the microelectronics industry. The principle aim of this study is to review investigations of the diffusion of technologically important p‐ and n‐type dopants as well as surface and interface passivation issues in germanium. The diffusion of impurities in germanium is interrelated to the formation of clusters whenever possible, and possibilities for point defect engineering are discussed in view of recent results. The importance of electrically active defects on the Ge surface and interfaces is addressed considering strategies to suppress them and to passivate the surfaces/interfaces, bearing in mind their importance for advanced devices.

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Ab initio investigation of boron diffusion paths in germanium

Cited by 18 publications

References 21 publications

Diffusion and defect reactions between donors, C, and vacancies in Ge. II. Atomistic calculations of related complexes

Diffusion and defect reactions between donors, C, and vacancies in Ge. II. Atomistic calculations of related complexes

Diffusion ofn-type dopants in germanium

Impurity diffusion, point defect engineering, and surface/interface passivation in germanium

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