Stress Dependent Oxidation

DESCRIPTION

This example shows the use of the stress-dependent oxidation model. Experimental LOCOS profiles are generally of two distinct types [1]. When the nitride mask is more than two to three times thicker than the pad oxide, the oxide/silicon interface and the oxide gas surface is kinked. For thinner nitride masks, the shape can be approximately be described by an error-function. The kinks were not observed in the first generation of oxidation simulators, because they result from stress effects on the growth coefficients. Early oxidation programs did not take stress into account and found essentially identical oxide shapes irrespective of nitride thickness. This example shows how the stress-dependent model in SUPREM-IV.GS can predict such second-order effects. The example is given in the file "sdep.s4" in the "examples/exam9" directory.

# --LOCOS cross section with stress effects

opt     chat

# --Substrate mesh definition--
line x loc=-1 spac=0.2 tag=l
line x loc=0  spac=0.05 tag=c
line x loc=1  spac=0.2 tag=r

line y loc=0 tag=t
line y loc=1 tag=b

region silicon xlo=l xhi=r ylo=t yhi=b
bound  expo    xlo=l xhi=r ylo=t yhi=t

init ori=100

# --Pad oxide and nitride mask--
deposit oxide thick=0.02 div=1
deposit nitride thick=0.15 div=1
etch    nitride left p1.x=0

#----------Field oxidation
oxide   Vc=300 Vr=30  Vd=25 stress.dep=t

meth   viscous oxide.rel=1e-2

plot.2 bound y.mi=-0.3 x.mi=-0.3 x.ma=0.3

diffuse tim=90 tem=1000 weto2  movie="plot.2 bound cl=f ax=f line.b=1"

stru outf=sdep15.str
The grid structure and nitride/oxide sandwich is very similar to the fully-recessed oxide example. The substrate grid is as sparse as possible (two lines). The lateral grid is a little coarse to compensate for the increased computation time used in the nonlinear model.

The new statements are as follows:

oxide stress.dep=t
The nonlinear stress-dependent model is turned on. The default is to turn it off since it is much more expensive to run than the linear model.

The activation volume for plastic flow Vc, for the stress-dependent reaction rate Vr, and for the diffusivity Vd, are taken from the defaults in the model file. The values used were derived by fitting Kao's cylinder oxidation data [2].

meth   viscous oxide.rel=1e-2
The viscous model is chosen, because only this model takes stress effects into account. (Only the viscous model calculates stress accurately enough to feed back into the coefficients). The relative error criterion is chosen as 1% in the velocities. The default of 1.0E-6 is rather tight and requires more CPU time.

The diffuse statement is as usual.

This input file was executed twice, once with 0.05 microns of nitride and once with 0.15 microns of nitride. The output contains the usual features, along with many lines as follows:

Newton loop 0	cut 1     upd    0.9914	orhs  3.811      rhs  3.534e-15
Newton loop 1*	cut 1     upd 1.322e-12	orhs  3.534e-15  rhs      1e-38
Continuation step #0 to lambda = 0.25 step 0.25
Newton loop 0	cut 1     upd  0.008394	orhs  0.0002229  rhs  0.0003045
Newton loop 0	cut 0.25  upd  0.008394	orhs  0.0002229  rhs   0.000135
Newton loop 2	cut 0.25  upd  0.005944	orhs  0.0001278  rhs   6.63e-05
Newton loop 4	cut  0.5  upd  0.004301	orhs  6.479e-05  rhs  1.638e-05
Newton loop 5*	cut    1  upd  0.002137	orhs  1.638e-05  rhs   1.43e-05
Newton loop 7	cut    1  upd  0.000463	orhs  1.625e-05  rhs      1e-38
Continuation step #0 to lambda = 0.5 step 0.25
Newton loop 0	cut    1  upd    0.1527	orhs     0.0359  rhs    0.04011
...
Newton loop 4	cut 0.031 upd     2.062	orhs    0.01961  rhs     0.0199
Continued too far, backing off.
Continuation step #-1 to lambda = 0.375 step 0.125
Newton loop 0	cut    1  upd   0.06759	orhs    0.02686  rhs    0.02223
Newton loop 2	cut    1  upd    0.1005	orhs    0.02204  rhs    0.02313
 &...
Newton loop28	cut  0.5  upd   0.00263	orhs  0.0005139  rhs  0.0002645
Newton loop30	cut    1  upd 0.0009523	orhs  0.0002647  rhs      1e-38
Continuation step #0 to lambda = 0.5 step 0.125
Newton loop 0	cut    1  upd   0.01423	orhs    0.01075  rhs   0.008121
Newton loop 2	cut    1  upd  0.002104	orhs   0.008299  rhs   0.003507
Newton loop 4	cut    1  upd  0.002404	orhs   0.003543  rhs   0.007114
Newton loop 4	cut 0.25  upd  0.002404	orhs   0.003543  rhs   0.002892
Newton loop 6	cut 0.25  upd 0.0007027	orhs   0.002888  rhs      1e-38
Continuation step #0 to lambda = 1 step 0.5
Newton loop 0	cut    1  upd 0.0005178	orhs   0.002156  rhs      1e-38 
The nonlinear solver works by proceeding first from the linear solution. The linear solution takes exactly two Newton steps. The first has a large update step 0.9914, which reduces the error from 3.811 to 3.5E-15. The second Newton step 1.3E-12 then of course is trivial since the solution has been reached. The Newton loop counter is incremented by two whenever a new Jacobian is factorized, and by one when only the error is recalculated.

The stress-dependent viscosity is turned on (continuation step 0 to lambda = 0.25). The first step is moderately large 0.008394 and causes the error to increase 0.00022 to 0.0003045. A quarter-step (cut 0.25) in that direction is tried, which is found to decrease the error from 0.00022 to 0.0001. This new position is accepted as worthwhile, and a second Newton step is taken from there. It is found to decrease the error from 0.0059 to 0.00012. Since this is successful, the cutback factor is increased back to 0.5.

The third Newton step (#4) reduces the error by a large factor, so on the subsequent step not only is the length increased back to 1 but the same Jacobian is recycled, indicated by the asterisk. The recycled Jacobian proves not to be effective, since the error only goes from 1.6E-5 to 1.4E-5. One more Jacobian is factored, and causes an update of 0.0004636, less than the accuracy criterion. The first nonlinear problem has been solved.

The stress-dependent reaction rate is then turned on (continuation to 0.5). In this case, the Newton process fails. Successively smaller steps along the Newton direction are taken, but at each attempted new position the error is larger than the current location. The smallest step tried is 0.031; the next would be 0.031/4 which is less than 1% of the Newton update and the situation is considered hopeless. The program then backs off by trying an intermediate lambda of 0.375. This corresponds to a stress dependence which is only half as strong as the desired dependence. After 15 Newton steps, this weaker problem is solved. The solution is then used as an initial guess for the problem first tried, that with the full stress dependence (lambda = 0.5). The improved initial guess leads to a successful solution of the problem after 3 Newton steps. Finally, the stress-dependent diffusivity is turned on (lambda =1). Since the activation volume for diffusivity was left at 0, nothing of interest happens and the problem is solved after one loop. The total number of Newton loops is therefore about 24, compared to 1 for a linear problem. Thus the nonlinear problem is about 24 times as expensive to solve as a linear problem.

The different oxide shapes are shown in Figure 1 and Figure 2. The thicker nitride clearly has the effect of reducing the bird's beak.

References

  1. N. Guillemot, G. Pananakakis and P. Chenevier, IEEE Transactions on Electron Devices, ED-34, (1987).
  2. D. B. Kao, J. P. McVittie, W. D. Nix and K. C. Saraswat, "Two-Dimensional Silicon Oxidation Experiments and Theory," IEDM Tech. Digest, 1985.