scholarly journals Formation energies of native point defects in strained-layer superlattices

AIP Advances ◽  
2017 ◽  
Vol 7 (6) ◽  
pp. 065203 ◽  
Author(s):  
Zhi-Gang Yu ◽  
Srini Krishnamurthy
1990 ◽  
Vol 216 ◽  
Author(s):  
M.A. Berding ◽  
A. Sher ◽  
A.-B. Chen

ABSTRACTNative point defects play an important role in HgCdTe. Here we discuss some of the relevant mass action equations, and use recently calculated defect formation energies to discuss relative defect concentrations. In agreement with experiment, the Hg vacancy is found to be the dominant native defect to accommodate excess tellurium. Preliminary estimates find the Hg antisite and the Hg interstitial to be of comparable densities. Our calculated defect formation energies are also consistent with measured diffusion activation energies, assuming the interstitial and vacancy migration energies are small.


2012 ◽  
Vol 48 (2) ◽  
pp. 119-122 ◽  
Author(s):  
I. V. Gorichok ◽  
U. M. Pysklynets ◽  
V. V. Prokopiv

1997 ◽  
Vol 482 ◽  
Author(s):  
C. Stampfl ◽  
Chris G. Van De Walle

AbstractWe have studied native point defects in AlN and InN using density-functional calculations employing both the local-density and generalized gradient approximations for the exchange-correlation functional. For both materials we find that the nitrogen vacancy acts as a compensating center in p-type material. For AIN in the zinc-blende structure, the aluminum interstitial has an equally low formation energy as the nitrogen vacancy. For n-type material the aluminum vacancy is the dominant compensating center in AlN. For n-type InN, all defect formation energies are high.


1987 ◽  
Vol 48 (C5) ◽  
pp. C5-321-C5-327 ◽  
Author(s):  
H. BRUGGER ◽  
G. ABSTREITER

2007 ◽  
Vol 91 (4) ◽  
pp. 043514 ◽  
Author(s):  
J. B. Rodriguez ◽  
E. Plis ◽  
G. Bishop ◽  
Y. D. Sharma ◽  
H. Kim ◽  
...  

1998 ◽  
Vol 184-185 ◽  
pp. 728-731 ◽  
Author(s):  
I.V. Bradley ◽  
J.P. Creasey ◽  
K.P. O'Donnell

1987 ◽  
Vol 103 ◽  
Author(s):  
William C. Johnson

ABSTRACTUsing recent results from the thermodynamics of stressed solids, two-phase coexistence in a simple binary strained-layer superlattice is examined. We show that for a given temperature and overall composition of the superlattice, there can exist more than one linearly stable, equilibrium thermodynamic state. That is, there may exist several combinations of relative thickness of the phases and corresponding phase compositions that minimize the free energy of the system. The equilibrium state observed experimentally can, therefore, be influenced by the processing path.


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