| Records |
| Author |
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
| Title |
First-principles study of strained 2D MoS2 |
Type |
A1 Journal article |
Year  |
2014 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
| Volume |
56 |
Issue |
|
Pages |
416-421 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The electronic and vibrational properties of 2D honeycomb structures of molybdenum disulfide (MoS2) subjected to strain have been investigated using first-principles calculations based on density functional theory. We have studied the evolution of the electronic properties of bulk and layered MoS2, going down from a few layers up to a mono-layer, and next investigated the effect of bi-axial strain on their electronic structure and vibrational frequencies. Both for tensile and compressive biaxial strains, the shrinking of the energy band-gap of MoS2 with increasing level of applied strain is observed and a transition limit of the system from semiconducting to metallic is predicted to occur for strains in the range of 8-10%. We also found a progressive downshift (upshift) of both the E-2g(1) and A(1g) Raman active modes with increasing level of applied tensile (compressive) strain. Interestingly, significant changes in the curvature of the conduction and valence band near their extrema upon the application of strain are also predicted, with correlated variations of the electron and hole effective masses. These changes present interesting possibilities for engineering the electronic properties of 2D structures of MoS2. (C) 2012 Elsevier B.V. All rights reserved. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
North-Holland |
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000330815800070 |
Publication Date |
2012-08-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.221 |
Times cited |
72 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.221; 2014 IF: 2.000 |
| Call Number |
UA @ lucian @ c:irua:115761 |
Serial |
1220 |
| Permanent link to this record |
| |
|
| |
| Author |
Boschker, H.; Verbeeck, J.; Egoavil, R.; Bals, S.; Van Tendeloo, G.; Huijben, M.; Houwman, E.P.; Koster, G.; Blank, D.H.A.; Rijnders, G. |
| Title |
Preventing the reconstruction of the polar discontinuity at oxide heterointerfaces |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
| Volume |
22 |
Issue |
11 |
Pages |
2235-2240 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Perovskite oxide heteroepitaxy receives much attention because of the possibility to combine the diverse functionalities of perovskite oxide building blocks. A general boundary condition for the epitaxy is the presence of polar discontinuities at heterointerfaces. These polar discontinuities result in reconstructions, often creating new functionalities at the interface. However, for a significant number of materials these reconstructions are unwanted as they alter the intrinsic materials properties at the interface. Therefore, a strategy to eliminate this reconstruction of the polar discontinuity at the interfaces is required. We show that the use of compositional interface engineering can prevent the reconstruction at the La0.67Sr0.33MnO3/SrTiO3 (LSMO/STO) interface. The polar discontinuity at this interface can be removed by the insertion of a single La0.33Sr0.67O layer, resulting in improved interface magnetization and electrical conductivity. |
| Address |
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| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000304749600002 |
Publication Date |
2012-03-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1616-301X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.124 |
Times cited |
72 |
Open Access |
|
| Notes |
We wish to acknowledge the financial support of the Dutch Science Foundation (NWO) and the Dutch Nanotechnology program NanoNed. S. B. acknowledges the financial support from the European Union under the Framework 6 program under a contract for an Integrated Infrastructure Initiative. Reference 026019 ESTEEM. J. V. and G. V. T. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC grant N246791 – COUNTATOMS. R. E. acknowledges funding by the European Union Council under the 7th Framework Program (FP7) grant NNMP3-LA-2010-246102 IFOX. We thank Sandra Van Aert for stimulating discussions. |
Approved |
Most recent IF: 12.124; 2012 IF: 9.765 |
| Call Number |
UA @ lucian @ c:irua:98907UA @ admin @ c:irua:98907 |
Serial |
2712 |
| Permanent link to this record |
| |
|
| |
| Author |
Kao, K.-H.; Verhulst, A.S.; Vandenberghe, W.G.; Sorée, B.; Magnus, W.; Leonelli, D.; Groeseneken, G.; De Meyer, K. |
| Title |
Optimization of gate-on-source-only tunnel FETs with counter-doped pockets |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
IEEE transactions on electron devices |
Abbreviated Journal |
Ieee T Electron Dev |
| Volume |
59 |
Issue |
8 |
Pages |
2070-2077 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We investigate a promising tunnel FET configuration having a gate on the source only, which is simultaneously exhibiting a steeper subthreshold slope and a higher ON-current than the lateral tunneling configuration with a gate on the channel. Our analysis is performed based on a recently developed 2-D quantum-mechanical simulator calculating band-to-band tunneling and including quantum confinement (QC). It is shown that the two disadvantages of the structure, namely, the sensitivity to gate alignment and the physical oxide thickness, are mitigated by placing a counter-doped parallel pocket underneath the gate-source overlap. The pocket also significantly reduces the field-induced QC. The findings are illustrated with all-Si and all-Ge gate-on-source-only tunnel field-effect transistor simulations. |
| 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 |
000306920200011 |
Publication Date |
2012-06-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0018-9383;1557-9646; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.605 |
Times cited |
72 |
Open Access |
|
| Notes |
; Manuscript received February 17, 2012; revised May 7, 2012; accepted May 11, 2012. Date of publication June 26, 2012; date of current version July 19, 2012. This work was supported by the Interuniversity Microelectronics Center's Industrial Affiliation Program. The work of W. G. Vandenberghe was supported by the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen) through a Ph.D. stipend. The review of this paper was arranged by Editor H. S. Momose. ; |
Approved |
Most recent IF: 2.605; 2012 IF: 2.062 |
| Call Number |
UA @ lucian @ c:irua:100820 |
Serial |
2487 |
| Permanent link to this record |
| |
|
| |
| Author |
Zhang, Z.; Partoens, B.; Chang, K.; Peeters, F.M. |
| Title |
First-principles study of transition metal impurities in Si |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
77 |
Issue |
15 |
Pages |
155201,1-8 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
|
Wos |
000255457400057 |
Publication Date |
2008-04-02 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
72 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
| Call Number |
UA @ lucian @ c:irua:68846 |
Serial |
1221 |
| Permanent link to this record |
| |
|
| |
| Author |
Michel, K.H.; Verberck, B. |
| Title |
Theory of the evolution of phonon spectra and elastic constants from graphene to graphite |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
| Volume |
78 |
Issue |
8 |
Pages |
085424,1-085424,17 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We present a unified theory of the phonon dispersions and elastic properties of graphene, graphite, and graphene multilayer systems. Starting from a fifth-nearest-neighbor force-constant model derived from full in-plane phonon dispersions of graphite [Mohr et al., Phys. Rev. B 76, 035439 (2007)], we use Born's long-wave method to calculate the tension and bending coefficients of graphene. Extending the model by interplanar interactions, we study the phonon dispersions and the elastic constants of graphite, and the phonon spectra of graphene multilayers. We find that the inner displacement terms due to sublattice shifts between inequivalent C atoms are quantitatively important in determining the elastomechanical properties of graphene and of graphite. The overall agreement between theory and experiment is very satisfactory. We investigate the evolution from graphene to graphite by studying the increase in the rigid plane optical mode as a function of the number of layers N. At N=10 the graphite value B2g1127 cm−1 is attained within a few percent. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
|
| Language |
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Wos |
000259406900106 |
Publication Date |
2008-08-21 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
72 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
| Call Number |
UA @ lucian @ c:irua:76527 |
Serial |
3622 |
| Permanent link to this record |
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| |
| Author |
Tadić, M.; Peeters, F.M.; Janssens, K.L. |
| Title |
Effect of isotropic versus anisotropic elasticity on the electronic structure of cylindrical InP/In0.49Ga0.51P self-assembled quantum dots |
Type |
A1 Journal article |
| Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| Volume |
65 |
Issue |
16 |
Pages |
165333-13 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The electronic structure of disk-shaped InP/InGaP self-assembled quantum dots is calculated within the effective-mass theory. The strain-dependent 6x6 multiband Hamiltonian for the valence band is simplified into an axially symmetric form. Both the continuum mechanical model, discretized by finite elements, and the isotropic model are used to calculate the strain distribution and their results are critically compared. The dependence of the electron and the hole energy levels on the dimensions of the quantum dot is investigated. We found that both the electron and hole energies are underestimated if the strain distribution is calculated by the isotropic elasticity theory. The agreement between the electron energies for the two approaches is better for thinner quantum dots. The heavy holes are confined inside the quantum dot, while the light holes are located outside the disk, but confined by the strain field near the edge of the disk periphery. We found that the (h) over bar /2 hole ground state crosses the 3 (h) over bar /2 ground state when the height of the quantum dot increases and becomes the ground state for sufficiently thick quantum disks. The higher hole levels exhibit both crossings between the states of the different parity and anticrossings between the states of the same parity. |
| 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 |
|
Wos |
000175325000097 |
Publication Date |
2002-07-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
72 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.836; 2002 IF: NA |
| Call Number |
UA @ lucian @ c:irua:103361 |
Serial |
819 |
| Permanent link to this record |
| |
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| |
| Author |
Bernaerts, D.; Zhang, X.B.; Zhang, X.F.; Amelinckx, S.; Van Tendeloo, G.; van Landuyt, J.; Ivanov, V.; Nagy, J.B. |
| Title |
Electron microscopy study of coiled carbon tubules |
Type |
A1 Journal article |
| Year |
1995 |
Publication |
Philosophical magazine: A: physics of condensed matter: defects and mechanical properties |
Abbreviated Journal |
|
| Volume |
71 |
Issue |
3 |
Pages |
605-630 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
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| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
A1995QQ40400009 |
Publication Date |
2007-07-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0141-8610;1460-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
72 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:13290 |
Serial |
969 |
| Permanent link to this record |
