Electronic structure of acceptor-donor complexes in silicon

Atoro, Eisaku; Ohama, Yasuhiko; Hayafuji, Yoshinori

doi:10.1063/1.1618378

Cited by 7 publications

(5 citation statements)

References 16 publications

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“…Atoro et al have suggested making In a shallow acceptor via a trimer with P ͑In-P-In͒. 20 Based on multiple binding between donors and acceptors, the differential carrier density ͑Fig. 3͒ and total carrier density ͑Fig.…”

Section: A Donor-acceptor Pairsmentioning

confidence: 99%

Calculations of codoping effects between combinations of donors (P/As/Sb) and acceptors (B/Ga/In) in Si

Ahn

Dunham

2007

Journal of Applied Physics

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We studied codoping effects in silicon using first-principles calculations, with particular attention to charge compensation, Coulomb interactions, and strain compensation. We find that for B-doped systems, As or Sb counter doping reduces the maximum hole concentration, but that due to strong binding of multiple P atoms, Ga or In counter doping can increase electron density in heavily P-doped material. For acceptor-acceptor pairing, we find the B-B interaction to be repulsive as expected due to Coulombic effects, but calculations show a surprisingly significant attractive binding between B and In, which we attribute to hole localization. However, BIn binding is not promising for enhancing hole concentration since BIn pairs are deep acceptors.

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Section: A Donor-acceptor Pairsmentioning

confidence: 99%

Calculations of codoping effects between combinations of donors (P/As/Sb) and acceptors (B/Ga/In) in Si

Ahn

Dunham

2007

Journal of Applied Physics

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“…However, it is difficult to form such source/drain junctions, because of the lack of dopants with extremely low diffusivity and high solubility. Some of potential replacements for the conventional dopants have been proposed to be cluster dopants [1,2], dimer co-dopants [3] and trimer co-dopants [4,5]. These proposals showed that the cluster dopants and the co-dopants had the marked effects on the reduction of ionization energies and the increase of carrier concentrations, compared with that of the corresponding single dopant.…”

Section: Introductionmentioning

confidence: 99%

Formation Energy Calculations of Impurity Elements at Substitutional or Interstitial Sites in Silicon

Hatanaka

Hayafuji

2012

AMM

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One of promising candidates as dopants for forming ultra-shallow and high conductive source/drain in future silicon devices has been proposed to be dimer or trimer co-dopants containing pairs or trios of different impurity elements. Making choice of a combination of the impurity elements with a small ionization energy is essential for the appropriate dimers and trimers. In this work we calculated total energies of silicon with substitutional or ineterstitial impurity elements and derived formation energies for the substitutional and interstitial impurity elements for the atomic number 1 to 83 with the exception of inert gas and lanthanum series elements. We present here the periodic table with the formation energies of the substitutional and interstitial impurity elements for determining the most stable site of the impurity elements in Si lattice. We can use this table as a database for calculating ionization energies of the impurity element.

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“…[3] In recent years, a new doping method has been developed, [4] which involves simultaneous doping of both n-and p-type dopants. Atoro et al [5] reported that In-donor D-In trimer (In 2 D) acted as a shallower acceptor than an separate In acceptor. Another way of using codoping to reduce the ionization energy of an In-related acceptor is the method of simultaneous doping of both In and carbon C. Baron et al [6] found a shallow acceptor, called the X center in In-doped Si crystals.…”

Section: Introductionmentioning

confidence: 99%

A Formation Mechanism of X Level due to an Indium-Carbon Dimer in Silicon

Kawanishi

Hayafuji

2012

AMR

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It is known that acceptor-carbon complexes have ionization energies less than those of the corresponding substitutional, separate acceptors in silicon. We present the formation mechanism for a shallower acceptor energy level called an X level that is due to an indium- carbon pair. Ab initio calculation methods were used to evaluate electronic structures and lattice relaxations of silicon with indium, carbon or a carbon-indium dimer. The results shows that the bonding interaction between the 5p orbitals of the indium atom and the 3sp orbitals of the silicon atoms bound with the indium atom mainly determines the ionization energy of the X level, and the ionic bonding interaction of the carbon atomic orbitals with the indium atomic orbitals in the X level enables the bonding interaction of the orbitals between the indium atom and the silicon atom to lower the corresponding indium acceptor level, and then to form the shallower X level.

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Electronic structure of acceptor-donor complexes in silicon

Cited by 7 publications

References 16 publications

Calculations of codoping effects between combinations of donors (P/As/Sb) and acceptors (B/Ga/In) in Si

Calculations of codoping effects between combinations of donors (P/As/Sb) and acceptors (B/Ga/In) in Si

Formation Energy Calculations of Impurity Elements at Substitutional or Interstitial Sites in Silicon

A Formation Mechanism of X Level due to an Indium-Carbon Dimer in Silicon

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