Equipment simulation of SiGe heteroepitaxy: Model validation by<i>ab initio</i>calculations of surface diffusion processes

Hierlemann, M.

doi:10.1116/1.589511

Cited by 22 publications

(11 citation statements)

References 21 publications

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“…The similarity applies to both Si−H and Ge−H bond energies on either singly or doubly occupied dimers. This shows that neighboring Ge atoms have no effect on Si−H bond energies and vice versa, consistent with previous calculations 5 1 Surface Si−H and Ge−H Bond Energies (kcal/mol) of Doubly and Singly Occupied Dimers a bond energySi−Si/Ge−GeGe−Si/Si−Ge Si−H on doubly occupied dimer 80.0 80.0 Si−H on singly occupied dimer 73.7 73.8 Ge−H on doubly occupied dimer 73.8 73.9 Ge−H on singly occupied dimer 67.8 67.7 a The energies are calculated using one-dimer clusters and are zero-point corrected.

…”

Section: Resultssupporting

confidence: 87%

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A Density Functional Theory Study on the Effect of Ge Alloying on Hydrogen Desorption from SiGe Alloy Surfaces

2004

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We have used density functional theory to investigate hydrogen desorption from SiGe alloy surfaces, and the effect of Ge alloying on the kinetics of hydrogen desorption via the prepairing and interdimer mechanisms. We find that the calculated activation barriers of the prepairing mechanism are affected by the surface atom bonded to the desorbing hydrogen atoms. On the other hand, our calculations show that the activation barrier for hydrogen desorption via the 2H interdimer mechanism is affected by all four surface atoms of the two neighboring dimers. For the 4H interdimer mechanism, we have shown that the activation barrier for hydrogen desorption is not significantly higher than the endothermicity of hydrogen desorption. We also find that the calculated activation barriers of the interdimer mechanisms are generally lower than those of the prepairing mechanism. In addition, our calculations show that surface Ge atoms on neighboring dimers on SiGe alloy surfaces have a minor effect on the calculated activation barriers of both the prepairing and interdimer mechanisms, which indicates that the effect of Ge alloying on hydrogen desorption is local in nature. We also discuss the effects of cluster size and constraints on the calculated reaction energies and activation barriers of hydrogen desorption via the two mechanisms.

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…”

Section: Resultssupporting

confidence: 87%

“…This shows that neighboring Ge atoms have no effect on Si-H bond energies and vice versa, consistent with previous calculations. 70 2. ActiVation Barriers of Hydrogen Desorption from SiGe Alloy Dimers.…”

Section: A Hydrogen Desorption Via the Prepairing Mechanism 1 Energie...mentioning

confidence: 99%

A Density Functional Theory Study on the Effect of Ge Alloying on Hydrogen Desorption from SiGe Alloy Surfaces

2004

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“…One is the direct desorption by breaking bond with Si and the other is the desorption from a Ge atom by migrating to the neighboring Ge site due to the high activation barrier involved in desorbing directly from the Si atom. 13 These are competing processes and the mediation of Ge in Cl desorption in reactions ͑2a͒ and ͑2b͒ can be viewed as an additional pathway to direct desorption from Si. In this light, n may be allowed to take values between 0 and 1, which reflects the extent to which the Cl desorption contributes through migrating to neighboring Ge site.…”

Section: Model and Comparison With Experimentsmentioning

confidence: 99%

Ge composition in Si1−xGex films grown from SiH2Cl2/GeH4 precursors

Suh

Lee

2000

Journal of Applied Physics

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“…The adsorption energy difference (E a,SiCl2 ÀE a,GeH2 ) is~0.1 eV [39], and the desorption energy difference is~0.48 eV [40]. Then, the total activation energy is valued to 0.58 eV which is close to the derived energy value (0.697 eV) [37].…”

Section: Modeling Of Sige Selective Growthmentioning

confidence: 63%

Selective Epitaxy of Group IV Materials for CMOS Application

Wang¹,

Radamson²,

Kolahdouz³

2018

Complementary Metal Oxide Semiconductor

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As the International Technology Roadmap for Semiconductors (ITRS) demands an increase of transistor density in the chip, the size of transistors has been continuously shrunk. In this evolution of transistor structure, different strain engineering methods were introduced to induce strain in the channel region. One of the most effective methods is applying embedded SiGe as stressor material in source and drain (S/D) regions by using selective epitaxy. This chapter presents an overview of implementation, modeling, and pattern dependency of selective epitaxy for S/D application in CMOS. The focus is also on the wafer in and ex situ cleaning prior to epitaxy, integrity of gate, and selectivity mode.

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Equipment simulation of SiGe heteroepitaxy: Model validation byab initiocalculations of surface diffusion processes

Abstract: Lattice diffusion and surface segregation of B during growth of SiGe heterostructures by molecular beam epitaxy: Effect of Ge concentration and biaxial stress

Cited by 22 publications

References 21 publications

A Density Functional Theory Study on the Effect of Ge Alloying on Hydrogen Desorption from SiGe Alloy Surfaces

A Density Functional Theory Study on the Effect of Ge Alloying on Hydrogen Desorption from SiGe Alloy Surfaces

Ge composition in Si1−xGex films grown from SiH2Cl2/GeH4 precursors

Selective Epitaxy of Group IV Materials for CMOS Application

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