| Records |
| Author |
Clima, S.; Govoreanu, B.; Jurczak, M.; Pourtois, G. |
| Title |
HfOx as RRAM material : first principles insights on the working principles |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
| Volume |
120 |
Issue |
|
Pages  |
13-18 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
First-principles simulations were employed to gain atomistic insights on the working principles of amorphous HfO2 based Resistive Random Access Memory stack: the nature of the defect responsible for the switching between the High and Low Resistive States has been unambiguously identified to be the substoichiometric Hf sites (commonly called oxygen vacancy-V-O) and the kinetics of the process have been investigated through the study of O diffusion. Also the role of each material layer in the TiN/HfO2/Hf/TiN RRAM stack and the impact of the deposition techniques have been examined: metallic Hf sputtering is needed to provide an oxygen exchange layer that plays the role of defect buffer. TiN shall be a good defect barrier for O but a bad defect buffer layer. A possible scenario to explain the device degradation (switching failure) mechanism has been proposed – the relaxation of the metastable amorphous phase towards crystalline structure leads to denser, more structured cluster that can increase the defect migration barriers. (C) 2013 Elsevier B.V. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000336697300004 |
Publication Date |
2013-08-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0167-9317; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.806 |
Times cited |
22 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.806; 2014 IF: 1.197 |
| Call Number |
UA @ lucian @ c:irua:117767 |
Serial |
3535 |
| Permanent link to this record |
| |
|
| |
| Author |
Delabie, A.; Sioncke, S.; Rip, J.; Van Elshocht, S.; Pourtois, G.; Mueller, M.; Beckhoff, B.; Pierloot, K. |
| Title |
Reaction mechanisms for atomic layer deposition of aluminum oxide on semiconductor substrates |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Journal of vacuum science and technology: A: vacuum surfaces and films |
Abbreviated Journal |
J Vac Sci Technol A |
| Volume |
30 |
Issue |
1 |
Pages |
01a127-01a127,10 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this work, we have studied the TMA/H(2)O (TMA Al(CH(3))(3)) atomic layer deposition (ALD) of Al(2)O(3) on hydroxyl (OH) and thiol (SH) terminated semiconductor substrates. Total reflection x-ray fluorescence reveals a complex growth-per-cycle evolution during the early ALD reaction cycles. OH and SH terminated surfaces demonstrate growth inhibition from the second reaction cycle on. Theoretical calculations, based on density functional theory, are performed on cluster models to investigate the first TMA/H(2)O reaction cycle. Based on the theoretical results, we discuss possible mechanisms for the growth inhibition from the second reaction cycle on. In addition, our calculations show that AlCH(3) groups are hydrolyzed by a H(2)O molecule adsorbed on a neighboring Al atom, independent of the type of backbonds (Si-O, Ge-O, or Ge-S) of AlCH(3). The coordination of Al remains four-fold after the first TMA/H(2)O reaction cycle. (C) 2012 American Vacuum Society. [DOI: 10.1116/1.3664090] |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000298992800027 |
Publication Date |
2011-12-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0734-2101; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.374 |
Times cited |
41 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.374; 2012 IF: 1.432 |
| Call Number |
UA @ lucian @ c:irua:96253 |
Serial |
2818 |
| Permanent link to this record |
| |
|
| |
| Author |
Sankaran, K.; Clima, S.; Mees, M.; Pourtois, G. |
| Title |
Exploring alternative metals to Cu and W for interconnects applications using automated first-principles simulations |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
ECS journal of solid state science and technology |
Abbreviated Journal |
Ecs J Solid State Sc |
| Volume |
4 |
Issue |
4 |
Pages |
N3127-N3133 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The bulk properties of elementary metals and copper based binary alloys have been investigated using automated first-principles simulations to evaluate their potential to replace copper and tungsten as interconnecting wires in the coming CMOS technology nodes. The intrinsic properties of the screened candidates based on their cohesive energy and on their electronic properties have been used as a metrics to reflect their resistivity and their sensitivity to electromigration. Using these values, the 'performances' of the alloys have been benchmarked with respect to the Cu and W ones. It turns out that for some systems, alloying Cu with another element leads to a reduced tendency to electromigration. This is however done at the expense of a decrease of the conductivity of the alloy with respect to the bulk metal. (C) 2014 The Electrochemical Society. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
Electrochemical society |
Place of Publication |
Pennington (N.J.) |
Editor |
|
| Language |
|
Wos |
000349547900018 |
Publication Date |
2014-11-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2162-8769;2162-8777; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.787 |
Times cited |
19 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.787; 2015 IF: 1.558 |
| Call Number |
c:irua:125296 |
Serial |
1150 |
| Permanent link to this record |
| |
|
| |
| Author |
Mees, M.J.; Pourtois, G.; Rosciano, F.; Put, B.; Vereecken, P.M.; Stesmans, A. |
| Title |
First-principles material modeling of solid-state electrolytes with the spinel structure |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Ionic diffusion through the novel (AlxMg1-2xLix)Al2O4 spinel electrolyte is investigated using first-principles calculations, combined with the Kinetic Monte Carlo algorithm. We observe that the ionic diffusion increases with the lithium content x. Furthermore, the structural parameters, formation enthalpies and electronic structures of (AlxMg1-2xLix)Al2O4 are calculated for various stoichiometries. The overall results indicate the (AlxMg1-2xLix)Al2O4 stoichiometries x = 0.2...0.3 as most promising. The (AlxMg1-2xLix)Al2O4 electrolyte is a potential candidate for the all-spinel solid-state battery stack, with the material epitaxially grown between well-known spinel electrodes, such as LiyMn2O4 and Li4+3yTi5O12 (y = 0...1). Due to their identical crystal structure, a good electrolyte-electrode interface is expected. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Cambridge |
Editor |
|
| Language |
|
Wos |
000332395700048 |
Publication Date |
2014-02-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.123 |
Times cited |
8 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.123; 2014 IF: 4.493 |
| Call Number |
UA @ lucian @ c:irua:128893 |
Serial |
4520 |
| Permanent link to this record |
| |
|
| |
| Author |
Houssa, M.; van den Broek, B.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
| Title |
Theoretical study of silicene and germanene |
Type |
P1 Proceeding |
| Year |
2013 |
Publication |
Graphene, Ge/iii-v, And Emerging Materials For Post Cmos Applications 5 |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The structural and electronic properties of silicene and germanene on metallic and non-metallic substrates are investigated theoretically, using first-principles simulations. We first study the interaction of silicene with Ag(111) surfaces, focusing on the (4x4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), silicene is predicted to be semiconducting, with a computed energy gap of about 0.3 eV. However, the charge transfer occurring at the silicene/Ag(111) interface leads to an overall metallic system. We next investigate the interaction of silicene and germanene with hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (semiconducting) (0001) ZnS or ZnSe surfaces, silicene and germanene are found to be semiconducting. Remarkably, the nature (indirect or direct) and magnitude of their energy band gap can be controlled by an out-of-plane electric field. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
Electrochemical soc inc |
Place of Publication |
Pennington |
Editor |
|
| Language |
|
Wos |
000354468000006 |
Publication Date |
2013-05-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
978-1-60768-374-2; 978-1-62332-023-2 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
6 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:134451 |
Serial |
4529 |
| Permanent link to this record |
| |
|
| |
| Author |
Sankaran, K.; Swerts, J.; Carpenter, R.; Couet, S.; Garello, K.; Evans, R.F.L.; Rao, S.; Kim, W.; Kundu, S.; Crotti, D.; Kar, G.S.; Pourtois, G. |
| Title |
Evidence of magnetostrictive effects on STT-MRAM performance by atomistic and spin modeling |
Type |
P1 Proceeding |
| Year |
2018 |
Publication |
2018 Ieee International Electron Devices Meeting (iedm) |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
For the first time, we demonstrate, using an atomistic description of a 30nm diameter spin-transfer-torque magnetic random access memories (STT-MRAM), that the difference in mechanical properties of its sub-nanometer layers induces a high compressive strain in the magnetic tunnel junction (MTJ) and leads to a detrimental magnetostrictive effect. Our model explains the issues met in engineering the electrical and magnetic performances in scaled STT-MRAM devices. The resulting high compressive strain built in the stack, particularly in the MgO tunnel barrier (t-MgO), and its associated non-uniform atomic displacements, impacts on the quality of the MTJ interface and leads to strain relieve mechanisms such as surface roughness and adhesion issues. We illustrate that the strain gradient induced by the different materials and their thicknesses in the stacks has a negative impact on the tunnel magneto-resistance (TMR), on the magnetic nucleation process and on the STT-MRAM performance. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000459882300147 |
Publication Date |
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| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
978-1-72811-987-8; 978-1-72811-987-8 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:158694 |
Serial |
7942 |
| Permanent link to this record |
| |
|
| |
| Author |
Clima, S.; O'Sullivan, B.J.; Ronchi, N.; Bardon, M.G.; Banerjee, K.; Van den Bosch, G.; Pourtois, G.; van Houdt, J. |
| Title |
Ferroelectric switching in FEFET : physics of the atomic mechanism and switching dynamics in HfZrOx, HfO2 with oxygen vacancies and Si dopants |
Type |
P1 Proceeding |
| Year |
2020 |
Publication |
|
Abbreviated Journal |
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| Volume |
|
Issue |
|
Pages |
|
| Keywords |
P1 Proceeding; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The fine balance between dipole-field energy and anion drift force defines the switching mechanism during polarization reversal: for the first time we show that only Pbcm mechanism obeys the ferroelectric switching physics, whereas P4(2)/nmc (or any other) mechanism does not. However, with lower energy barrier, it represents an important antiferroelectric mechanism. Constraints relaxation can lead to 90 degrees polarization rotation (domain deactivation). Intrinsically, the Si/VO-doping can switch faster than undoped HfO2 or HfZrOx. Theoretical Arrhenius model / intrinsic material switching (DFT) overestimates the switching speed extracted from experiments. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
|
| Language |
|
Wos |
000717011600218 |
Publication Date |
2021-03-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
978-1-7281-8888-1 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:184730 |
Serial |
7963 |
| Permanent link to this record |
| |
|
| |
| Author |
Clima, S.; McMitchell, S.R.C.; Florent, K.; Nyns, L.; Popovici, M.; Ronchi, N.; Di Piazza, L.; Van Houdt, J.; Pourtois, G. |
| Title |
First-principles perspective on poling mechanisms and ferroelectric/antiferroelectric behavior of Hf1-xZrxO2 for FEFET applications |
Type |
P1 Proceeding |
| Year |
2018 |
Publication |
2018 Ieee International Electron Devices Meeting (iedm) |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
We investigate at the atomic level the most probable phase transformations under strain, that are responsible for the ferroelectric/ antiferroelectric behavior in Hf1-xZrxO2 materials. Four different crystalline phase transformations exhibit a polar/non-polar transition: monoclinic-to-orthorhombic requires a gliding strain tensor, orthorhombic-to-orthorhombic transformation does not need strain to polarize the material, whereas tetragonal-to-cubic cell compression and tetragonal-to-orthorhombic cell elongation destabilizes the non-polar tetragonal phase, facilitating the transition towards a polar atomic configuration, therefore changing the polarization-electric field loop from antiferroelectric to ferroelectric. Oxygen vacancies can reduce drastically the polarization reversal barriers. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000459882300073 |
Publication Date |
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| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
978-1-72811-987-8; 978-1-72811-987-8 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:158693 |
Serial |
7972 |
| Permanent link to this record |
