scholarly journals Reaction Mechanism of the Metal Precursor Pulse in Plasma-Enhanced Atomic Layer Deposition of Cobalt and the Role of Surface Facets

2020 ◽  
Vol 124 (22) ◽  
pp. 11990-12000
Author(s):  
Ji Liu ◽  
Hongliang Lu ◽  
David Wei Zhang ◽  
Michael Nolan
Keyword(s):  
Reaction Mechanism ◽  
Atomic Layer Deposition ◽  
Atomic Layer ◽  
Metal Precursor ◽  
Layer Deposition ◽  
Surface Facets

scholarly journals Reaction Mechanism of the Metal Precursor Pulse in Plasma-Enhanced Atomic Layer Deposition of Cobalt and the Role of Surface Facet

2020 ◽  
Author(s):  
Ji Liu ◽  
hongliang lu ◽  
david wei zhang ◽  
Michael Nolan
Keyword(s):  
Reaction Mechanism ◽  
Atomic Layer Deposition ◽  
Density Functional ◽  
Hydrogen Transfer ◽  
Semiconductor Industry ◽  
Atomic Layer ◽  
Potential Candidate ◽  
Metal Precursor ◽  
Layer Deposition ◽  
Surface Facet

Cobalt is a potential candidate in replacing copper for interconnects and has been applied in the trenches and vias in semiconductor industry. A non-oxidizing reactant is required in plasma-enhanced atomic layer deposition (PE-ALD) of thin films of metals to avoid O-contamination. PE-ALD of Co has been demonstrated experimentally, but the growth mechanism and key reactions are not clear. In this paper, the reaction mechanism of metal cyclopentadienyl (Cp, C<sub>5</sub>H<sub>5</sub>) precursors (CoCp<sub>2</sub>) and NH<sub>x</sub>-terminated Co surface is studied by density functional theory (DFT) calculations. The Cp ligands are eliminated by CpH formation via a hydrogen transfer step and desorb from metal surface. The surface facet plays an important role in the reaction energies and activation barriers. The results show that on the NH<sub>x</sub>-terminated surfaces corresponding to ALD operating condition (temperature range 550K to 650K), the two Cp ligands are eliminated completely on Co(100) surface during the metal precursor pulse, resulting in Co atom deposited on the Co(100) surface. But the second Cp ligand reaction of hydrogen transfer is thermodynamically unfavourable on the Co(001) surface, resulting in CoCp fragment termination on Co(001) surface. The final terminations after metal precursor pulse are 3.03 CoCp/nm<sup>2</sup> on NH<sub>x</sub>-terminated Co(001) surface and 3.33 Co/nm<sup>2</sup> on NH<sub>x</sub>-terminated Co(100) surface. These final structures after metal precursor pulse are essential to model the reaction during the following N-plasma step..<br>

scholarly journals Reaction Mechanism of the Metal Precursor Pulse in Plasma-Enhanced Atomic Layer Deposition of Cobalt and the Role of Surface Facet

2020 ◽  
Author(s):  
Ji Liu ◽  
hongliang lu ◽  
david wei zhang ◽  
Michael Nolan
Keyword(s):  
Reaction Mechanism ◽  
Atomic Layer Deposition ◽  
Density Functional ◽  
Hydrogen Transfer ◽  
Semiconductor Industry ◽  
Atomic Layer ◽  
Potential Candidate ◽  
Metal Precursor ◽  
Layer Deposition ◽  
Surface Facet

Cobalt is a potential candidate in replacing copper for interconnects and has been applied in the trenches and vias in semiconductor industry. A non-oxidizing reactant is required in plasma-enhanced atomic layer deposition (PE-ALD) of thin films of metals to avoid O-contamination. PE-ALD of Co has been demonstrated experimentally, but the growth mechanism and key reactions are not clear. In this paper, the reaction mechanism of metal cyclopentadienyl (Cp, C<sub>5</sub>H<sub>5</sub>) precursors (CoCp<sub>2</sub>) and NH<sub>x</sub>-terminated Co surface is studied by density functional theory (DFT) calculations. The Cp ligands are eliminated by CpH formation via a hydrogen transfer step and desorb from metal surface. The surface facet plays an important role in the reaction energies and activation barriers. The results show that on the NH<sub>x</sub>-terminated surfaces corresponding to ALD operating condition (temperature range 550K to 650K), the two Cp ligands are eliminated completely on Co(100) surface during the metal precursor pulse, resulting in Co atom deposited on the Co(100) surface. But the second Cp ligand reaction of hydrogen transfer is thermodynamically unfavourable on the Co(001) surface, resulting in CoCp fragment termination on Co(001) surface. The final terminations after metal precursor pulse are 3.03 CoCp/nm<sup>2</sup> on NH<sub>x</sub>-terminated Co(001) surface and 3.33 Co/nm<sup>2</sup> on NH<sub>x</sub>-terminated Co(100) surface. These final structures after metal precursor pulse are essential to model the reaction during the following N-plasma step..<br>

scholarly journals Reaction Mechanism of the Metal Precursor Pulse in Atomic Layer Deposition of Ruthenium and Cobalt and the Role of Surface Facet NH/NH2 Coverage

2019 ◽  
Author(s):  
Ji Liu ◽  
Michael Nolan
Keyword(s):  
Reaction Mechanism ◽  
Atomic Layer Deposition ◽  
Density Functional ◽  
Hydrogen Transfer ◽  
Semiconductor Industry ◽  
Atomic Layer ◽  
Potential Candidate ◽  
Metal Precursor ◽  
Layer Deposition ◽  
Surface Facet

Ruthenium and Cobalt are potential candidate in replacing copper for interconnects and have been applied in the trenches and vias in semiconductor industry. A non-oxidizing reactant is required in atomic layer deposition (ALD) of thin films of these metals to avoid O-contamination. ALD of Ru and Co has been demonstrated experimentally, but the growth mechanism and key reactions are not clear. In this paper, the reaction mechanism of metal cyclopentadienyl (Cp, C5H5) precursors (RuCp2 and CoCp2) and NHx-terminated metal surfaces (Ru and Co) is studied by density functional theory (DFT) calculations. The Cp ligands are eliminated by CpH formation via a hydrogen transfer step and may desorb from metal surface. The nature of the NHx-termination plays an important role in the reaction energies and barriers as does the surface facet on Ru and Co, with (001) and (100) surfaces showing different reaction energetics. The results show that on the NHx-terminated surfaces corresponding to ALD operating condition (temperature range 550K to 650K), the two Cp ligands can be eliminated completely on both Ru and Co (100) surface during the metal precursor pulse, resulting in Ru or Co atom deposited on the (100) surface. But the second Cp ligand reaction of hydrogen transfer is thermodynamically unfavourable on the (001) surface, resulting in RuCp or CoCp fragment termination on (001) surface, along with the possibility of surface boned CpH. CoCp2 always has lower reaction barriers than RuCp2, regardless of surface facets or NHx coverage. These final structures after metal precursor pulse are essential to model the reaction during the following N-plasma step.<br>

Reaction Mechanism of Atomic Layer Deposition of Aluminum Sulfide using Trimethylaluminum and Hydrogen Sulfide

2021 ◽  
Author(s):  
Yanghong Yu ◽  
Zhongchao Zhou ◽  
Lina Xu ◽  
Yihong Ding ◽  
Guoyong Fang
Keyword(s):  
Hydrogen Sulfide ◽  
Reaction Mechanism ◽  
Atomic Layer Deposition ◽  
Atomic Layer ◽  
Metal Sulfides ◽  
Layer Deposition

Atomic layer deposition (ALD) is a nanopreparation technique for materials and is widely used in the fields of microelectronics, energy and catalysis. ALD methods for metal sulfides, such as Al2S3...

Reaction Mechanism of Pt Atomic Layer Deposition on Various Textile Surfaces

2019 ◽  
Vol 31 (21) ◽  
pp. 8995-9002
Author(s):  
Il-Kwon Oh ◽  
Jong Seo Park ◽  
Mohammad Rizwan Khan ◽  
Kangsik Kim ◽  
Zonghoon Lee ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Atomic Layer Deposition ◽  
Atomic Layer ◽  
Layer Deposition

Atomic layer deposition of ternary ruthenates by combining metalorganic precursors with RuO4 as the co-reactant

2021 ◽  
Author(s):  
Matthias Marcus Minjauw ◽  
Ji-Yu Feng ◽  
Timo Sajavaara ◽  
Christophe Detavernier ◽  
Jolien Dendooven
Keyword(s):  
Atomic Layer Deposition ◽  
Atomic Layer ◽  
Ruthenium Tetroxide ◽  
Layer Deposition

In this work, the use of ruthenium tetroxide (RuO4) as a co-reactant for atomic layer deposition (ALD) is reported. The role of RuO4 as a co-reactant is twofold: it acts...

Reaction Mechanism Underlying Atomic Layer Deposition of Antimony Telluride Thin Films

2016 ◽  
Vol 16 (5) ◽  
pp. 4924-4928 ◽  
Author(s):  
Byeol Han ◽  
Yu-Jin Kim ◽  
Jae-Min Park ◽  
Luchana L Yusup ◽  
Hana Ishii ◽  
...  
Keyword(s):  
Thin Films ◽  
Reaction Mechanism ◽  
Atomic Layer Deposition ◽  
Atomic Layer ◽  
Antimony Telluride ◽  
Layer Deposition

Order of magnitude enhancement of inherently selective atomic layer deposition of zirconia on silicon without deposition on copper: The role of precursor

Vacuum ◽  
2021 ◽  
pp. 110686
Author(s):  
Soumya Saha ◽  
Gregory Jursich ◽  
Abhijit H. Phakatkar ◽  
Tolou Shokuhfar ◽  
Christos G. Takoudis
Keyword(s):  
Atomic Layer Deposition ◽  
Atomic Layer ◽  
Layer Deposition ◽  
Order Of Magnitude

scholarly journals Role of oligomer structures in the surface chemistry of amidinate metal complexes used for atomic layer deposition of thin films

2019 ◽  
Vol 35 (7) ◽  
pp. 720-731 ◽  
Author(s):  
Jonathan Guerrero-Sánchez ◽  
Bo Chen ◽  
Noboru Takeuchi ◽  
Francisco Zaera
Keyword(s):  
Thin Films ◽  
Atomic Layer Deposition ◽  
Surface Chemistry ◽  
Metal Complexes ◽  
Atomic Layer ◽  
Layer Deposition ◽  
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