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Department of Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue,
93 Roger Adams Laboratory, Box C-3, Urbana, IL 61801-3792, USA
Received 9 May 2003; received in revised form 21 July 2003; accepted 21 July 2003
Abstract
This study focuses on the optimal control of rapid thermal annealing (RTA) used in the formation of ultrashallow junctions
needed in next-generation microelectronic devices. Comparison of dierent parameterizations of the optimal trajectories shows that
linear proles give the best combination of minimizing junction depth and sheet resistance. Worst-case robustness analysis of the
optimal control trajectory motivates improvements in feedback control implementations for these processes. This is the rst time
that the eects of model uncertainties and control implementation inaccuracies are rigorously quantied for RTA.
2003 Elsevier Ltd. All rights reserved.
Keywords: Optimal control; Batch control; Uncertainty analysis; Robustness analysis; Microelectronics processes; Semiconductor processing; Rapid
thermal annealing
0959-1524/$ - see front matter 2003 Elsevier Ltd. All rights reserved.
doi:10.1016/j.jprocont.2003.07.005
424 R. Gunawan et al. / Journal of Process Control 14 (2004) 423430
silicon. However, our Monte Carlo simulations using a simple picture is often inadequate. For example, a
maximum likelihood parameters [21,22] showed that the survey [27] of pre-factors for gas desorption from
diusion of boron observed in TED is most likely me- semiconductor surfaces shows that, while the average
diated by motion of free Bi . value indeed lies near 1013 s1 , only ten percent of in-
Clusters of interstitial atoms have been shown to dividual cases fall within an order of magnitude of this
form during TED [23,24]. There exists evidence sup- range. The story is roughly similar for hopping diusion
porting the formation of clusters consisting of pure on semiconductors [28]. Although the Si Debye fre-
boron [24], pure silicon [23], and mixed boronsilicon quency will be employed in the present work, clearly the
[25]. During thermal annealing, the clusters can act as use of a priori estimates of pre-factors requires caution.
reservoir (during stabilization step) and source (during Determinations of the activation energies have also
heating step) for mobile interstitial boron and silicon. proven dicult. Nevertheless, experimental and ab initio
The formation and dissociation of pure interstitial DFT estimates of the activation energies are scattered
clusters follow the reactions throughout the literature. For many of the activation
f energies, the published values show signicant variation.
I I I2 For example, experimental results for the Si self-inter-
d
g
stitial suggest diusivities that vary by more than 10
Im1 I Im orders of magnitude [29]. The reliability of the experi-
d
mental results is questionable because the mobile spe-
where I denotes the interstitial (boron and silicon) and cies, including many point and extended defects, are
the indices m denote the sizes of the clusters. The cluster dicult to observe because they exist at low concen-
formation and growth rates assume diusion-limited tration. Ab initio calculations based on density func-
kinetics in agreement with much of the literature (see for tional theory (DFT) have also proven problematic.
example [26]). On the other hand, the dissociation rate Most of the DFT calculations are valid only at 0 K.
follows a rst-order kinetic expression with a rate con- However, the assumed mechanism may change at high
stant according to the Arrhenius law. temperatures. The expressions employed here tacitly
The following reaction network describes the forma- assume a rate law based on a transition state formula-
tion and dissociation of mixed boronsilicon clusters: tion, in which an atom attempts to cross a well-dened
g^ potential barrier at a frequency comparable to a lattice
Bp1 Siq Bi Bp Siq vibrational frequency. Such formulations are usually
d^
g^
applied under conditions at modest temperatures where
Bp Siq1 Sii Bp Siq kT is much less than the barrier height. At 1050 C,
d^
however, kT 0:11 eV, which approaches the same
where p, q are integers larger than or equal to 1. The magnitude as several barriers in Table 1. Under such
formation/growth and dissociation rates of mixed clus- conditions, it becomes questionable whether the poten-
ters again follow diusion-limited and rst-order kinet- tial barrier remains well dened. Other possible high-
ics, respectively, as in the pure cluster dynamics. temperature mechanisms have been discussed for other
Detailed description of the model is available elsewhere kinds of point defects by Van Vechten [30]. Another
[8]. problem with DFT calculations is that they typically do
not account for the eects of entropy, which can change
2.2. Parameter estimates the pre-exponential factor by orders of magnitude [31].
Table 1 lists the maximum a posteriori estimates for
The TED model requires a set of pre-exponential the most important TED energetics [8]. Maximum a
factors and activation energies associated with the dif- posteriori estimation takes a Bayesian approach which
fusivities and kinetic rate constants for the boron acti- combines experimental data with a priori information,
vation reaction and cluster dissociation dynamics. in this case, from the maximum likelihood estimation
Theoretical and experimental works of TED have paid applied to published experimental and/or DFT values.
little attention to the pre-exponential factors, focusing Fig. 2 presents the after-anneal experimental data from
instead on the activation energies. In fact, pre-factors various RTA programs along with the corresponding
are notoriously dicult to estimate a priori. In simple simulation proles using the TED model in conjunction
kinetic models of elementary reactions, pre-factors rep- with the MAP estimates. In addition, Fig. 3 shows the
resent modied attempt or collision frequencies. How- agreement of the TED simulations using the MAP es-
ever, in solid there exists a distribution of vibrational timates with the experimental observations compiled
frequencies, and thus dening a single attempt frequency from the literature [32,33], and with the Sematech curve,
is dicult. One commonly used estimate is the Debye which consolidates the best junction depth and sheet
frequency, which for Si is about 6 1012 s1 . However, it resistance pairs that can be achieved through conven-
is well known from other branches of kinetics that such tional spike annealing.
426 R. Gunawan et al. / Journal of Process Control 14 (2004) 423430
Table 1
Maximum a posteriori estimates of TED energetics
TED parameters MAP estimate Std. dev.
Ediff;Bi (boron diusivity) 0.336 0.013
Ediff;Si2 (Si diusivity) 0.72 0.03
i
Eko (kick-in/kick-out) 0.439 0.041
Eki (kick-in/kick-out) 0.50 0.03
Edis (kick-in/kick-out) 0.547 0.005
E2;B (cluster dissociationpure boron) 1.806 0.023
E2 (cluster dissociationpure Si) 1.4 0.03
E3 (cluster dissociationsize 3) 2.184 0.018
E4 (cluster dissociationsize 4) 3.055 0.002
Elarge (cluster dissociationlarge Si) 3.7 0.1
Elarge;mix (cluster dissociationlarge mixed) 3.5 n/aa
a
Energy is from ML estimation of a single published value.
10
22
resistance. (Performance variables can also include
junction abruptness, prole stability to subsequent
Boron Concentration (cm-3)
SIMS
10
21
process steps, and others.) Shallower junction depths
Simulation
give improved short channel performance to minimize
10
20
leakage current, while low sheet resistance reduces
power consumption. There are many avenues to reduc-
10
19
ing the junction depth, e.g., low implant energy [34]
combined with RTA with high ramp-up rates [2,4] and
10
18
alternative doping technology such as plasma inversion
ion implantation or plasma gas-immersion laser doping
10
17 [35]. Nevertheless, RTA currently provides the most
0 10 20 30 40 50 60 70
dependable and economical path to satisfy the current
Depth (nm) needs of ultrashallow junctions.
Fig. 2. Comparison of experimental and simulated boron proles us-
This paper presents a model-based control formula-
ing the TED model in conjunction with the MAP parameters. The tion for designing the optimal temperature program that
junction depth is dened as the depth from the surface at which the minimizes the junction depth while maintaining a suit-
total boron concentration reaches 1018 atoms/cm3 : on the order of 50 able sheet resistance. The optimization variable is the
nm in the present cases. RTA temperature prole, in particular, the heating and
cooling proles and the annealing (maximum) temper-
ature. The optimal control objective chosen here is to
1000 minimize the junction depth while maintaining a satis-
Literature factory sheet resistance, which can be formulated into a
Sheet Resistance R s (/sq)
In this work, it is desired to produce junctions with the and the maximum junction depth increase of
sheet resistance below Rs;max of 350 X/sq. The constraints 1=2
dXj;wc rakLV h k 15
on the temperature gradient, bmin and bmax , describe the
limits for the cooling and heating rates, respectively. On the other hand, the worst-case analysis with re-
Lamp-based RTA can produce heating rates up to 400 spect to the control implementation inaccuracies re-
C/s [2], while recent advances in RTA technology using quires a second-order series expansion:
arc lamps [37] can achieve cooling rates up to 200 C/s
dXj M du duT H du 16
[38]. The maximum temperature of the thermal anneal
Tmax is set to the melting point temperature of silicon at where
1410 C.
oXj
Mi 17
oui u^u
4. Worst-case analysis o2 Xj
Hik 18
oui ouk u^u
Worst-case analysis [9,10] provides tools for quanti-
because the elements of M that are not on active con-
fying the robustness of the optimal control performance
straints are equal to zero and thus the eect of such
to uncertainties in model parameters and control im-
control uncertainties only shows up in the second-order
plementation. The parametric and control uncertainties
terms. Here the worst-case junction depth increase is
are described as norm bounded perturbations du and dh
given by
such that
n o dXj;wc max jM du duT H duj 19
Eh h : h ^h dh; kW h dhk 6 1 7 dumin 6 du 6 dumax
plementation (one-step algorithm). In addition, it also perature of 1111 C, in agreement with experimental
has a desirable stability condition (L-stability) for solv- studies [3,34]. The use of a high annealing temperature
ing sti dierential equations [40]. with fast heating and cooling is needed since the eective
An experimental as-implanted SIMS prole provided activation energy of TED is lower than that for boron
by International Sematech was used as the initial boron activation. Although experimental studies [3,34] have
prole. The ion implantation utilized 2 1015 ions/cm2 suggested using fast heating and cooling rates, the de-
of boron at 0.60 keV with 0 tilt into intrinsic silicon. termination of the maximum annealing temperature is
The total boron was assumed to contain 20% substitu- currently done through trial-and-error experimentation
tional boron and 80% interstitial boron as suggested by and heuristics. In contrast, the optimal control formu-
experimental observations [41,42]. The initial conditions lation using the TED model provides an estimate of the
for silicon interstitials were set to track the total boron annealing temperature, and therefore will reduce the
concentration. The clusters and the Bs Sii complex were number of costly experiments.
assumed not present initially. Boundary conditions at The quadratic parameterization led to the optimal
the surface for all species assumed no ux (i.e., quadratic trajectory with an annealing temperature of
Ji jx0 0) with no surface Fermi level pinning [43]. 1144 C. The use of quadratic proles only gave minimal
The parameterizations of the optimal trajectory in- improvement of the junction depth over the optimal
clude linear and quadratic proles. In the case of linear linear program. In fact, if the optimization problem for
parameterization, the design variables consisted of the linear parameterization was solved using relaxed con-
heating and cooling rates and the annealing tempera- straints on the heating rate and cooling rates to equal
ture, which were solved by extending the golden search those of the quadratic case, the optimal annealing
method [44] to multidimensional problems. The moti-
vation of using this algorithm came from the small
number of optimization variables and the ease of in- 1200
corporating the output constraint arising from the sheet
resistance. 1100 Linear
Quadratic
The quadratic parameterization denes optimal
Temperature ( C)
1000
o
1020
6. Results and discussion
1019
Fig. 4 presents the optimal RTA programs using
linear and quadratic parameterizations of the tempera- 1018
ture trajectory, which give junction depths of 51.3 and
48.2 nm, respectively (shown in Fig. 5), and the same 1017
sheet resistance of 350 X/sq. The optimal linear heating 0 10 20 30 40 50 60 70
Depth (nm)
and cooling rates were 400 and 200 C/s, respectively,
indicating that the optimal RTA program was to heat Fig. 5. Simulations of after-anneal boron proles employing the op-
and cool as quickly as possible to the annealing tem- timal RTA programs.
R. Gunawan et al. / Journal of Process Control 14 (2004) 423430 429
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