| Records |
| Author |
Guo, J.; Clima, S.; Pourtois, G.; Van Houdt, J. |
| Title |
Identifying alternative ferroelectric materials beyond Hf(Zr)O-₂ |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Applied Physics Letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
117 |
Issue |
26 |
Pages |
262903 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
A database-driven approach combined with ab initio density functional theory (DFT) simulations is used to identify and simulate alternative ferroelectric materials beyond Hf(Zr)O-2. The database-driven screening method identifies a class of wurtzite ferroelectric materials. DFT simulations of wurtzite magnesium chalcogenides, including MgS, MgSe, and MgTe, show their potential to achieve improved ferroelectric (FE) stability, simple atomistic unit cell structure, and large FE polarization. Strain engineering can effectively modulate the FE switching barrier height for facilitating FE switching. The effect of the piezoelectric property on the FE switching barrier heights is also examined. |
| 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 |
000608049700003 |
Publication Date |
2020-12-28 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
|
Edition |
|
ISSN  |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4; 2020 IF: 3.411 |
| Call Number |
UA @ admin @ c:irua:176053 |
Serial |
6766 |
| Permanent link to this record |
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| |
| Author |
Houssa, M.; Scalise, E.; Sankaran, K.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
| Title |
Electronic properties of hydrogenated silicene and germanene |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
98 |
Issue |
22 |
Pages |
223107 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The electronic properties of hydrogenated silicene and germanene, so called silicane and germanane, respectively, are investigated using first-principles calculations based on density functional theory. Two different atomic configurations are found to be stable and energetically degenerate. Upon the adsorption of hydrogen, an energy gap opens in silicene and germanene. Their energy gaps are next computed using the HSE hybrid functional as well as the G(0)W(0) many-body perturbation method. These materials are found to be wide band-gap semiconductors, the type of gap in silicane (direct or indirect) depending on its atomic configuration. Germanane is predicted to be a direct-gap material, independent of its atomic configuration, with an average energy gap of about 3.2 eV, this material thus being potentially interesting for optoelectronic applications in the blue/violet spectral range. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3595682] |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| Language |
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Wos |
000291405700057 |
Publication Date |
2011-06-03 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
63 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
| Call Number |
UA @ lucian @ c:irua:105586 |
Serial |
1003 |
| Permanent link to this record |
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| |
| Author |
Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
| Title |
Electronic properties of two-dimensional hexagonal germanium |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
96 |
Issue |
8 |
Pages |
082111,1-082111,3 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The electronic properties of two-dimensional hexagonal germanium, so called germanene, are investigated using first-principles simulations. Consistent with previous reports, the surface is predicted to have a poor metallic behavior, i.e., being metallic with a low density of states at the Fermi level. It is found that biaxial compressively strained germanene is a gapless semiconductor with linear energy dispersions near the K pointslike graphene. The calculated Fermi velocity of germanene is almost independent of the strain and is about 1.7×10<sup>6</sup> m/s, quite comparable to the value in graphene. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| Language |
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Wos |
000275027200044 |
Publication Date |
2010-02-25 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
86 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.411; 2010 IF: 3.841 |
| Call Number |
UA @ lucian @ c:irua:91716 |
Serial |
1004 |
| Permanent link to this record |
| |
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| |
| Author |
Sankaran, K.; Pourtois, G.; Degraeve, R.; Zahid, M.B.; Rignanese, G.-M.; Van Houdt, J. |
| Title |
First-principles modeling of intrinsic and extrinsic defects in \gamma-Al2O3 |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
97 |
Issue |
21 |
Pages |
212906 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The electronic properties of a set of intrinsic and extrinsic point defects in gamma-Al2O3 are investigated using quasiparticle calculations within the G(0)W(0) approximation. We find that the electronic signature of atomic vacancies lie deep in the band gap, close to the top of the valence band edge. The introduction of C, Si, and N impurities induces defective levels that are located close to the conduction band edge and near the middle of the band gap of the oxide. The comparison with electrical measurements reveals that the energy levels of some of these defects match with the electronic fingerprint of the defects reported in gamma-Al2O3 based nonvolatile memories. (C) 2010 American Institute of Physics. [doi:10.1063/1.3507385] |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| Language |
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Wos |
000284618300039 |
Publication Date |
2010-11-24 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
12 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.411; 2010 IF: 3.841 |
| Call Number |
UA @ lucian @ c:irua:105617 |
Serial |
1213 |
| Permanent link to this record |
| |
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| |
| Author |
Clima, S.; Chen, Y.Y.; Degraeve, R.; Mees, M.; Sankaran, K.; Govoreanu, B.; Jurczak, M.; De Gendt, S.; Pourtois, G. |
| Title |
First-principles simulation of oxygen diffusion in HfOx : role in the resistive switching mechanism |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
100 |
Issue |
13 |
Pages |
133102-133102,4 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Transition metal oxide-based resistor random access memory (RRAM) takes advantage of oxygen-related defects in its principle of operation. Since the change in resistivity of the material is controlled by the oxygen deficiency level, it is of major importance to quantify the kinetics of the oxygen diffusion, key factor for oxide stoichiometry. Ab initio accelerated molecular dynamics techniques are employed to investigate the oxygen diffusivity in amorphous hafnia (HfOx, x = 1.97, 1.0, 0.5). The computed kinetics is in agreement with experimental measurements. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3697690] |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| Language |
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Wos |
000302230800060 |
Publication Date |
2012-03-26 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
63 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
| Call Number |
UA @ lucian @ c:irua:97786 |
Serial |
1214 |
| Permanent link to this record |
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| |
| Author |
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
| Title |
Inelastic electron tunneling spectroscopy of HfO2 gate stacks : a study based on first-principles modeling |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
99 |
Issue |
13 |
Pages |
132101,1-132101,3 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
A first-principles modeling approach is used to investigate the vibrational properties of HfO2. The calculated phonon density of states is compared to experimental results obtained from inelastic electron tunneling spectroscopy (IETS) of various metal-oxide-semiconductor devices with HfO2 gate stacks. This comparison provides deep insights into the nature of the signatures of the complicated IETS spectra and provides valuable structural information about the gate stack, such as the possible presence of oxygen vacancies in jet-vapour deposited HfO2. Important structural differences between the interface of atomic-layer or molecular-beam deposited HfO2 and the Si substrate are also revealed. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| Language |
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Wos |
000295618000036 |
Publication Date |
2011-09-26 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
| Call Number |
UA @ lucian @ c:irua:93611 |
Serial |
1606 |
| Permanent link to this record |
| |
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| |
| Author |
Chen, Y.Y.; Pourtois, G.; Adelmann, C.; Goux, L.; Govoreanu, B.; Degreave, R.; Jurczak, M.; Kittl, J.A.; Groeseneken, G.; Wouters, D.J. |
| Title |
Insights into Ni-filament formation in unipolar-switching Ni/HfO2/TiN resistive random access memory device |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
100 |
Issue |
11 |
Pages |
113513-113513,4 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
In this letter, CMOS-compatible Ni/HfO2/TiN resistive random access memory stacks demonstrated attractive unipolar switching properties, showing >10(3) endurance and long retention at 150 degrees C. The Ni bottom electrode (BE) improved the switching yield over the NiSiPt BE. To better understand the unipolar forming mechanism, ab initio simulation and time of flight-secondary ion mass spectroscopy were utilized. Compared to the NiSiPt BE, Ni BE gives larger Ni diffusion in the HfO2 and lower formation enthalpy of Ni2+ species during electrical forming. Both the electrical and physical results supported a Ni-injection mechanism for the filament formation. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3695078] |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
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Wos |
000302204900091 |
Publication Date |
2012-03-17 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
29 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
| Call Number |
UA @ lucian @ c:irua:98295 |
Serial |
1674 |
| Permanent link to this record |
| |
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| |
| Author |
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
| Title |
Structural and vibrational properties of amorphous GeO2 from first-principles |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
98 |
Issue |
20 |
Pages |
202110,1-202110,3 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The structural and vibrational properties of amorphous germanium oxide (a-GeO<sub>2</sub>) are investigated using first-principles calculations based on density functional theory. We first generate an a-GeO<sub>2</sub> structure by first-principles molecular dynamics and analyze its structural properties. The vibrational spectra is then calculated within a density-functional approach. Both static and dynamic properties are in good agreement with experimental data. We next generate defects in our structure (oxygen vacancies with several density and charge states) and consider the most stable atomic configurations, focusing on the vibrational features of threefold coordinated O and divalent Ge centers. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000290812100038 |
Publication Date |
2011-05-20 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
226 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
| Call Number |
UA @ lucian @ c:irua:90222 |
Serial |
3202 |
| Permanent link to this record |
