Native Defects in Diamond, Sic, and Si: Energetics and Self-Diffusion

1988 ◽  
Vol 141 ◽  
Author(s):  
A. Antonelli ◽  
C. Wang ◽  
J. Bemholc ◽  
R. F. Davis
Keyword(s):  
Group Iv ◽  
Type Material ◽  
Native Defects ◽  
Self Diffusion ◽  
Direct Exchange ◽  
Group Iv Semiconductors ◽  
Relative Contribution ◽  
Diffusion Phenomena ◽  
Rich Material ◽  
P Type

AbstractWe have investigated, via first principles total energy calculations, the energetics of elementary native defects in group IV semiconductors. Its implications on the relative abundance of these defects and self-diffusion phenomena are analyzed. The results show that in diamond the self-diffusion is dominated by vacancies, because the interstitial and direct exchange mechanisms have much greater activation energy. In SiC stoichiometry plays an important role. For Si-rich compound, Sic-antisite is the dominant defect in the intrinsic and p-type material, while the carbon vacancy is dominant in the n-type material. For C-rich material, the Csi-antisite is dominant regardless the position of the Fermi level. In Si, it well-known that the vacancy, interstitial and direct exchange mechanisms have very similar activation energies. Our results suggest that self-diffusion experiments carried out at various pressures can determine the relative contribution of each of these mechanisms.

Analysis of Defects in Heavily-Doped MBE-GaAs

1982 ◽  
Vol 14 ◽  
Author(s):  
C.B. Carter ◽  
D.M. Desimone ◽  
H.T. Griem ◽  
C.E.C. Wood
Keyword(s):  
Liquid Phase ◽  
Molecular Beam ◽  
Type Material ◽  
Grown Layer ◽  
Defect Clusters ◽  
Complex Defect ◽  
Heavily Doped ◽  
Rich Material ◽  
P Type ◽  
Very High

ABSTRACTGaAs Has Been Grown By Molecular-Beam Epitaxy (MBE) With Large Concentrations (∼1018CM−2) Of Sn, Si, Ge, And Mn As Dopants. The Heavily-Doped N-Type Material Has Been Found To Contain Regions Of A Very High Dislocation Density. An Analysis Of The Less Complex Defect Areas Shows That The Dislocations Originate In The MBE-Grown Layer. These Observations And Others On More Complex Defect Clusters Are Compared With Recent Studies Of Defects In Material Grown By Liquid Phase Epitaxy (LPE). The More Heavily Doped P-Type Material Contains Discs Of Mn-Rich Material At The Surface Of The MBEgrown Epilayer. Both The Structure And Composition Of These Regions Have Been Examined.

Native Defects, Diffusion, Self-Compensation, and Boron Doping in Cubic Silicon Carbide

1989 ◽  
Vol 162 ◽  
Author(s):  
C. Wang ◽  
J. Bemholc ◽  
R. F. Davis
Keyword(s):  
Silicon Carbide ◽  
Fermi Level ◽  
Theoretical Investigation ◽  
Boron Doping ◽  
Native Defects ◽  
Heavily Doped ◽  
Rich Material ◽  
P Type ◽  
Cubic Silicon Carbide

ABSTRACTWe report the results of a comprehensive theoretical investigation of the effects of stoichiometry and boron doping on the properties of cubic SiC. Supercell calculations using ab initio pseudopotentials show that the lowest energy defect in Si-rich n-type and intrinsic SiC is the electrically inactive Sic antisite, while VC++ is the lowest energy defect in p-type SiC. The electrons released by the carbon vacancies compensate acceptor dopants and lead to strong self-compensation effects when doping occurs during the growth of crystal. In C-rich SiC the dominant defect for all Fermi level positions is the electrically inactive CSi antisite. In stoichiometric and Si-rich cubic SiC, the BC site is energetically preferred, while BC and BSi have similar incorporation energies in C-rich material. In heavily doped p-type SiC the diffusion of BC proceeds by the dissociative (Frank-Turnbull) mechanism.

Theory of Doping of Diamond

1992 ◽  
Vol 242 ◽  
Author(s):  
J. Bernholc ◽  
S. A. Kajihara ◽  
A. Antonelli
Keyword(s):  
Activation Energy ◽  
Large Scale ◽  
Natural Diamond ◽  
Tetrahedral Site ◽  
Shallow Donor ◽  
Native Defects ◽  
Self Diffusion ◽  
P Type ◽  
First Time ◽  
Very High

ABSTRACTElectronic applications of diamond require control over native defects as well as the ability to dope it p- and n-type. B is an excellent p-type dopant, but n-type doping has proven very difficult. Diamond films have also been very difficult to anneal, indicating a high activation energy for self-diffusion. We have investigated the properties of native defects and impurities through large-scale band structure and Car-Parrinello calculations. We indeed find that the activation energy for self-diffusion is very high in the intrinsic material, but it decreases by as much as 3 eV in either p- or n-type material. P, Li, and Na are shallow donors, but their solubilities are too low for incorporation into diamond through in-diffusion. It is energetically favorable for B and N to dissolve in diamond, which explains their prevalence in natural diamond. The calculations explain for the first time the reasons for the distortion of atoms around N from the fully tetrahedral site, as well as why N is a deep rather than a shallow donor. We also consider the effects of simultaneous doping with N and B on the thermodynamic equilibrium between diamond and graphite.

ISOMER-SHIFT SYSTEMATICS OF 57Co IMPLANTED IN GROUP IV SEMICONDUCTORS

1976 ◽  
Vol 37 (C6) ◽  
pp. C6-893-C6-896 ◽  
Author(s):  
G. WEYER ◽  
G. GREBE ◽  
A. KETTSCHAU ◽  
B. I. DEUTCH ◽  
A. NYLANDSTED LARSEN ◽  
...  
Keyword(s):  
Isomer Shift ◽  
Group Iv ◽  
Group Iv Semiconductors

scholarly journals Self- and Dopant Diffusion in Extrinsic Boron Doped Isotopically Controlled Silicon Multilayer Structures

2002 ◽  
Vol 719 ◽  
Author(s):  
Ian D. Sharp ◽  
Hartmut A. Bracht ◽  
Hughes H. Silvestri ◽  
Samuel P. Nicols ◽  
Jeffrey W. Beeman ◽  
...  
Keyword(s):  
Multilayer Structure ◽  
Secondary Ion Mass Spectrometry ◽  
Diffusion Processes ◽  
Quantitative Description ◽  
Multilayer Structures ◽  
Dopant Diffusion ◽  
Enhanced Diffusion ◽  
Self Diffusion ◽  
Boron Doped ◽  
P Type

AbstractIsotopically controlled silicon multilayer structures were used to measure the enhancement of self- and dopant diffusion in extrinsic boron doped silicon. 30Si was used as a tracer through a multilayer structure of alternating natural Si and enriched 28Si layers. Low energy, high resolution secondary ion mass spectrometry (SIMS) allowed for simultaneous measurement of self- and dopant diffusion profiles of samples annealed at temperatures between 850°C and 1100°C. A specially designed ion-implanted amorphous Si surface layer was used as a dopant source to suppress excess defects in the multilayer structure, thereby eliminating transient enhanced diffusion (TED) behavior. Self- and dopant diffusion coefficients, diffusion mechanisms, and native defect charge states were determined from computer-aided modeling, based on differential equations describing the diffusion processes. We present a quantitative description of B diffusion enhanced self-diffusion in silicon and conclude that the diffusion of both B and Si is mainly mediated by neutral and singly positively charged self-interstitials under p-type doping. No significant contribution of vacancies to either B or Si diffusion is observed.

Magnetic ordering in digital alloys of group-IV semiconductors with 3d-transition metals

2011 ◽  
Vol 112 (4) ◽  
pp. 625-636 ◽  
Author(s):  
M. M. Otrokov ◽  
V. V. Tugushev ◽  
A. Ernst ◽  
S. A. Ostanin ◽  
V. M. Kuznetsov ◽  
...  
Keyword(s):  
Transition Metals ◽  
Magnetic Ordering ◽  
Group Iv ◽  
Group Iv Semiconductors ◽  
Digital Alloys

Si1−xGex Bulk Crystals Growth and PN Junction Formation by Diffusing Phosphorus

1999 ◽  
Vol 607 ◽  
Author(s):  
S. Kato ◽  
T. Horikoshi ◽  
T. Ohkubo ◽  
T. Iida ◽  
Y. Takano
Keyword(s):  
Silicon Germanium ◽  
Bulk Crystals ◽  
Temperature Dependent ◽  
Alloy Scattering ◽  
Self Diffusion ◽  
Pn Junction ◽  
Current Voltage ◽  
Vertical Bridgman ◽  
Current Voltage Characteristics ◽  
P Type

AbstractThe bulk crystal of silicon germanium was grown by vertical Bridgman method with germanium composition, x, varying from 0.6 to 1.0. The temperature dependent variation of the mobility is indicative of alloy scattering dominantly for the bulk wafer. Phosphorus was diffused in as-grown p-type bulk wafer at 850 °C to form pn-junction, and the diffusion coefficient of phosphorus was evaluated as a function of x. The diffusion behavior of phosphorus in silicon germanium is closely correlated with the germanium self-diffusion with changing x. For specimens with lower content x, P concentration profiles indicated “kink and tail” shape, while it was not observed for higher x. For current-voltage characteristics measurement, an ideality factor was obtained.

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