Copper-related defects in silicon: Electron-paramagnetic-resonance identification

Hai, Pham Nam; Gregorkiewicz, T.; Ammerlaan, C.A.J.; Don, D.T.

doi:10.1103/physrevb.56.4620

Cited by 18 publications

(7 citation statements)

References 26 publications

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“…Recently, EPR signals related to Cu were observed. 21) However, the impurity was identified as a complex (Cu-Cu) À . This experiment proves the existence of the complex, but does not indicate whether all Cu impurities are incorporated in such a manner.…”

Section: Experimental Factsmentioning

confidence: 99%

Molecular Dynamics Study of Fast Diffusion of Cu in Silicon

Shirai

Michikita

Katayama‐Yoshida

2005

Jpn. J. Appl. Phys.

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A distinguishing property of copper impurities in silicon is their very fast diffusivity, which is undesirable in silicon device processes. This paper is the first attempt to simulate the fast diffusion of Cu by first-principles calculations. It is shown that, even near room temperature, the amplitude of Cu vibrations is very large; this is a consequence of the fact that the local mode of Cu has very low frequencies. At T>1000 K, the simulations demonstrate clear migration between adjacent cells. The diffusion path is from an interstitial T site to the next T site through an H site. The Arrhenius plot of the calculated diffusion constants agrees with the experimental data on the intrinsic diffusion of Cu, which are currently most reliable data available.

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Section: Experimental Factsmentioning

confidence: 99%

Molecular Dynamics Study of Fast Diffusion of Cu in Silicon

Shirai

Michikita

Katayama‐Yoshida

2005

Jpn. J. Appl. Phys.

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“…Theory [6][7][8] as well as analogies to the other 3d and IB metals in Si [9,10] and to Cu in Ge [11,12] suggest that both tetrahedral interstitial and substitutional Cu may exist. Electron paramagnetic resonance (EPR) [13] and photoluminescence (PL) [14] have been able to detect a number of Cu related signals with less than cubic symmetry which are supposed to be due to Cu-Cu pairs. Direct lattice location techniques such as ion beam channeling cannot be applied at low Cu concentrations, and at higher concentrations Cu forms precipitates.…”

Section: Introductionmentioning

confidence: 99%

Lattice location of implanted Cu in Si

Wahl

Correia

Vantomme

et al. 1999

Physica B: Condensed Matter

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We have implanted the radioactive probe atom 67 Cu (t 1/2 =61.9 h) into single-crystalline Si. Monitoring the β − emission yield from the decay of 67 Cu to 67 Zn as a function of angle from different crystallographic directions allows to determine the lattice location of the Cu atoms by means of the emission channeling effect. We give direct evidence that the majority of implanted Cu occupies nearsubstitutional sites. As most-likely lattice location we suggest a displacement of 0.51(7) Å along <111> directions from substitutional sites to bond center positions. The annealing behavior shows that nearsubstitutional Cu is remarkably stable, and we estimate a dissociation energy of 2.2(3) eV.

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“…Although interstitial Cu (i) donates an electron, it is electronically inactive in the sense that no gap state is observed. However, many electronic signatures attributed to Cu defects have been found in a variety of measurements such as DLTS, [6][7][8][9][10][11][12] photoluminescence (PL), 13 EPR, 14 photocurrent-induced DLTS, 8 Laplace-DLTS, 15 IR spectroscopy, 16 and others. [17][18][19][20][21] This indicates that there are many ways of incorporating a Cu atom in the host crystal.…”

Section: Introductionmentioning

confidence: 99%

Revisiting the stable structure of the Cu$_{4}$ complex in silicon

Fujimura,

Shirai

2019

Preprint

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The photoluminescence (PL) spectrum of Cu-containing silicon has a sharp zero-phonon (ZP) peak at 1.014 eV. The luminescence center corresponding to this peak is called Cu PL and is known to have the local C 3v symmetry. A recent measurement by ultrahigh-resolution PL spectroscopy revealed that the Cu PL center is a Cu 4 complex. Later, it was shown, by first-principles calculations, that the structure was Cu (s) Cu 3(i) , that is, a complex composed of three interstitial Cu (i) atoms around a substitutional Cu (s) atom. This complex (called C-type) has the desired symmetry.However, in this study, we show that the lowest-energy structure is different. The tetrahedral structure Cu 4 , called T -type, has the lowest energy, with the value being 0.26 eV lower than that of C-type. Between these two types, there is an energy barrier of 0.14 eV, which allows C-type to exist in a metastable state. Details of the electronic properties of the T -type complex are given, by comparing with C-type and other isovalent complexes such as Li 4 . Whereas the Cu 4 tetrahedron is incorporated in silicon in a manner compatible with the tetrahedral network, it also has its own molecular orbitals that exhibit a metallic characteristics, in contrast to other complexes. The ZP of the PL spectrum has been unambiguously ascribed to the backflow mode of the Cu 4 tetrahedron.

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Copper-related defects in silicon: Electron-paramagnetic-resonance identification

Cited by 18 publications

References 26 publications

Molecular Dynamics Study of Fast Diffusion of Cu in Silicon

Molecular Dynamics Study of Fast Diffusion of Cu in Silicon

Lattice location of implanted Cu in Si

Revisiting the stable structure of the Cu$_{4}$ complex in silicon

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