Records |
Author |
Li, Z.; Covaci, L.; Marsiglio, F. |
Title |
Impact of Dresselhaus versus Rashba spin-orbit coupling on the Holstein polaron |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
20 |
Pages |
205112-205112,5 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We utilize an exact variational numerical procedure to calculate the ground-state properties of a polaron in the presence of Rashba and linear Dresselhaus spin-orbit coupling. We find that when the linear Dresselhaus spin-orbit coupling approaches the Rashba spin-orbit coupling, the Van Hove singularity in the density of states will be shifted away from the bottom of the band and finally disappear when the two spin-orbit couplings are tuned to be equal. The effective mass will be suppressed; the trend will become more significant for low phonon frequency. The presence of two dominant spin-orbit couplings will make it possible to tune the effective mass with more varied observables. |
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 |
000303794900003 |
Publication Date |
2012-05-09 |
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 |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
18 |
Open Access |
|
Notes |
; This work was supported in part by the Natural Sciences and Engineering Research Council of Canada (NSERC), by ICORE (Alberta), by the Flemish Science Foundation (FWO-Vl), and by the Canadian Institute for Advanced Research (CIfAR). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:99121 |
Serial |
1558 |
Permanent link to this record |
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Author |
Li, Z.; Covaci, L.; Berciu, M.; Baillie, D.; Marsiglio, F. |
Title |
Impact of spin-orbit coupling on the Holstein polaron |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
83 |
Issue |
19 |
Pages |
195104-195104,9 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We utilize an exact variational numerical procedure to calculate the ground state properties of a polaron in the presence of a Rashba-like spin-orbit interaction. Our results corroborate previous work performed with the momentum average approximation and with weak-coupling perturbation theory. We find that spin-orbit coupling increases the effective mass in the regime with weak electron-phonon coupling, and decreases the effective mass in the regimes of intermediate and strong electron-phonon coupling. Analytical strong-coupling perturbation theory results confirm our numerical results in the small-polaron regime. A large amount of spin-orbit coupling can lead to a significant lowering of the polaron effective mass. |
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 |
000290162500001 |
Publication Date |
2011-05-03 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
9 |
Open Access |
|
Notes |
; This work was supported in part by the Natural Sciences and Engineering Research Council of Canada (NSERC), by ICORE (Alberta), by Alberta Ingenuity, by the Flemish Science Foundation (FWO-Vl), and by the Canadian Institute for Advanced Research (CIfAR). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:89718 |
Serial |
1561 |
Permanent link to this record |
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Author |
Li, Y.; Yang, X.-Y.; Tian, G.; Vantomme, A.; Yu, J.; Van Tendeloo, G.; Su, B.-L. |
Title |
Chemistry of trimethyl aluminum: a spontaneous route to thermally stable 3D crystalline macroporous alumina foams with a hierarchy of pore sizes |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
22 |
Issue |
10 |
Pages |
3251-3258 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A simple and spontaneous one-pot self-formation procedure that is easy to scale up has been developed based on the chemistry of trimethylaluminum (TMA), leading to thermally stable macroporous crystalline alumina with a very unique and unprecedented three-dimensional (3D) hierarchical pore structure consisting of well-defined wormlike mesopores. TMA is the precursor of both product and porogene (viz, two working functions within the same molecule (2 in 1)). The materials obtained have been intensively characterized by powder X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM), high-resolution transmission electron microscopy (HRTEM), N2 adsorption−desorption, and mercury porosimetry. The open cagelike macrocavities are self-constructed by mesoporous nanorods (diameter of ca. 40−70 nm), which are themselves formed by a random assembly of fibrous nanoparticles 5−6 nm in size. Optical microscopy (OM) has been used in situ to follow the synthesis procedure, which led to the proposal of the formation mechanism. Methane molecules as porogens, which were instantaneously released because of the fast hydrolysis of the chemical precursor, were the key factor in producing these 3D structures with uniform co-continuous macropores that interconnected directly with the wormlike mesopores. The important characteristic of this procedure is the concurrent formation of a multiscaled porous network. The material exhibits great thermal stability. The hierarchically mesoporous−macroporous Al2O3 obtained is quite attractive for a myriad of applications, from catalysis to biomedicine. The present work illustrates that the one-pot self-formation concept, based on the chemistry of alkyl metals, is a versatile method to design industrially valuable hierarchically porous materials. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000277635000030 |
Publication Date |
2010-04-27 |
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 |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
38 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 9.466; 2010 IF: 6.400 |
Call Number |
UA @ lucian @ c:irua:82760 |
Serial |
356 |
Permanent link to this record |
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Author |
Li, W.; Tong, W.; Yadav, A.; Bladt, E.; Bals, S.; Funston, A.M.; Etheridge, J. |
Title |
Shape control beyond the seeds in gold nanoparticles |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Chemistry Of Materials |
Abbreviated Journal |
Chem Mater |
Volume |
33 |
Issue |
23 |
Pages |
9152-9164 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
In typical seed-mediated syntheses of metal nanocrystals, the shape of the nanocrystal is determined largely by the seed nucleation environment and subsequent growth environment (where “environment” refers to the chemical environment, including the surfactant and additives). In this approach, crystallinity is typically determined by the seeds, and surfaces are controlled by the environment(s). However, surface energies, and crystallinity, are both influenced by the choice of environment(s). This limits the permutations of crystallinity and surface facets that can be mixed and matched to generate new nanocrystal morphologies. Here, we control post-seed growth to deliberately incorporate twin planes during the growth stage to deliver new final morphologies, including twinned cubes and bipyramids from single-crystal seeds. The nature and number of twin planes, together with surfactant control of facet growth, define the final nanoparticle morphology. Moreover, by breaking symmetry, the twin planes introduce new facet orientations. This additional mechanism opens new routes for the synthesis of different morphologies and facet orientations. |
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 |
000753956100012 |
Publication Date |
0000-00-00 |
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 |
|
ISSN |
0897-4756; 1520-5002 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
3 |
Open Access |
Not_Open_Access |
Notes |
This work was supported by the Australian Research Council (ARC) Grants DP160104679 and CE170100026 and used microscopes at the Monash Centre for Electron Microscopy funded by ARC Grants LE0454166, LE110100223, and LE140100104. W.L. thanks the support of the Australian Government Research Training Program (RTP) scholarship. W.T. thanks the Australian Department of Education and Monash University for the IPRS and APA scholarships. E.B. acknowledges financial support and a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). The authors thank Dr. Matthew Weyland and Dr. Tim Peterson for helpful discussions. A.Y. thanks the support from Post Graduation Publication Award (PPA) scholarship from Monash University. |
Approved |
Most recent IF: 9.466 |
Call Number |
UA @ admin @ c:irua:187229 |
Serial |
7065 |
Permanent link to this record |
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Author |
Li, L.L.; Xu, W.; Peeters, F.M. |
Title |
Intrinsic optical anisotropy of [001]-grown short-period InAs/GaSb superlattices |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
82 |
Issue |
23 |
Pages |
235422-235422,10 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We theoretically investigate the intrinsic optical anisotropy or polarization induced by the microscopic interface asymmetry (MIA) in no-common-atom (NCA) InAs/GaSb superlattices (SLs) grown along the [001] direction. The eight-band K⋅P model is used to calculate the electronic band structures and incorporates the MIA effect. A Boltzmann equation approach is employed to calculate the optical properties. We found that in NCA InAs/GaSb SLs, the MIA effect causes a large in-plane optical anisotropy for linearly polarized light and the largest anisotropy occurs for light polarized along the [110] and [11̅ 0] directions. The relative difference between the optical-absorption coefficient for [110]-polarized light and that for [11̅ 0]-polarized light is found to be larger than 50%. The dependence of the in-plane optical anisotropy on temperature, photoexcited carrier density, and layer width is examined in detail. This study is important for optical devices which require the polarization control and selectivity. |
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 |
000286768800007 |
Publication Date |
2010-12-13 |
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 |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
18 |
Open Access |
|
Notes |
; This work was supported partly by the Flemish Science Foundation (FWO-VL), the Belgium Science Policy (IAP), the NSF of China (Grants No. 10664006, No. 10504036, and No. 90503005), Special Funds of 973 Project of China (Grant No. 2005CB623603), and Knowledge Innovation Program of the Chinese Academy of Sciences. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:88909 |
Serial |
1717 |
Permanent link to this record |
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Author |
Li, L.L.; Partoens, B.; Xu, W.; Peeters, F.M. |
Title |
Electric-field modulation of linear dichroism and Faraday rotation in few-layer phosphorene |
Type |
A1 Journal article |
Year |
2019 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
Volume |
6 |
Issue |
1 |
Pages |
015032 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Electro-optical modulators, which use an electric voltage (or an electric field) to modulate a beam of light, are essential elements in present-day telecommunication devices. Using a self-consistent tight-binding approach combined with the standard Kubo formula, we show that the optical conductivity and the linear dichroism of few-layer phosphorene can be modulated by a perpendicular electric field. We find that the field-induced charge screening plays a significant role in modulating the optical conductivity and the linear dichroism. Distinct absorption peaks are induced in the conductivity spectrum due to the strong quantum confinement along the out-of-plane direction and to the field-induced forbidden-to-allowed transitions. The field modulation of the linear dichroism becomes more pronounced with increasing number of phosphorene layers. We also show that the Faraday rotation is present in few-layer phosphorene even in the absence of an external magnetic field. This optical Hall effect is induced by the reduced lattice symmetry of few-layer phosphorene. The Faraday rotation is greatly influenced by the field-induced charge screening and is strongly dependent on the strength of perpendicular electric field and on the number of phosphorene layers. |
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 |
000454321100002 |
Publication Date |
2018-11-28 |
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 |
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Edition |
|
ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.937 |
Times cited |
23 |
Open Access |
|
Notes |
; This work was financially supported by the Flemish Science Foundation (FWO-Vl) and by the FLAG-ERA project TRANS-2D-TMD. ; |
Approved |
Most recent IF: 6.937 |
Call Number |
UA @ admin @ c:irua:156776 |
Serial |
5207 |
Permanent link to this record |
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Author |
Li, L.; Liao, Z.; Gauquelin, N.; Minh Duc Nguyen; Hueting, R.J.E.; Gravesteijn, D.J.; Lobato, I.; Houwman, E.P.; Lazar, S.; Verbeeck, J.; Koster, G.; Rijnders, G. |
Title |
Epitaxial stress-free growth of high crystallinity ferroelectric PbZr0.52Ti0.48O3 on GaN/AlGaN/Si(111) substrate |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Advanced Materials Interfaces |
Abbreviated Journal |
Adv Mater Interfaces |
Volume |
5 |
Issue |
2 |
Pages |
1700921 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
<script type='text/javascript'>document.write(unpmarked('Due to its physical properties gallium-nitride (GaN) is gaining a lot of attention as an emerging semiconductor material in the field of high-power and high-frequency electronics applications. Therefore, the improvement in the performance and/or perhaps even extension in functionality of GaN based devices would be highly desirable. The integration of ferroelectric materials such as lead-zirconate-titanate (PbZrxTi1-xO3) with GaN has a strong potential to offer such an improvement. However, the large lattice mismatch between PZT and GaN makes the epitaxial growth of Pb(Zr1-xTix)O-3 on GaN a formidable challenge. This work discusses a novel strain relaxation mechanism observed when MgO is used as a buffer layer, with thicknesses down to a single unit cell, inducing epitaxial growth of high crystallinity Pb(Zr0.52Ti0.48)O-3 (PZT) thin films. The epitaxial PZT films exhibit good ferroelectric properties, showing great promise for future GaN device applications.')); |
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 |
000423173800005 |
Publication Date |
2017-11-27 |
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 |
|
ISSN |
2196-7350 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.279 |
Times cited |
15 |
Open Access |
Not_Open_Access |
Notes |
; L.L., Z.L.L., and N.G. contributed equally to this work. L.L. acknowledges financial support from Nano Next NL (Grant no. 7B 04). The authors acknowledge NXP for providing the GaN/AlGaN/Si (111) wafer. N.G. acknowledges funding from the Geconcentreerde Onderzoekacties (GOA) project “Solarpaint” of the University of Antwerp and J.V. acknowledges funding from the Research Foundation Flanders (FWO, Belgium) project 42/FA070100/6088 “nieuwe eigenschappen in complexe Oxides.” N.G. acknowledges the EUROTAPES project (FP7-NMP.2011.2.2-1 Grant no. 280432) which partly funded this study. ; |
Approved |
Most recent IF: 4.279 |
Call Number |
UA @ lucian @ c:irua:148427UA @ admin @ c:irua:148427 |
Serial |
4872 |
Permanent link to this record |
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Author |
Li, K.; Idrissi, H.; Sha, G.; Song, M.; Lu, J.; Shi, H.; Wang, W.; Ringer, S.P.; Du, Y.; Schryvers, D. |
Title |
Quantitative measurement for the microstructural parameters of nano-precipitates in Al-Mg-Si-Cu alloys |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Materials characterization |
Abbreviated Journal |
Mater Charact |
Volume |
118 |
Issue |
118 |
Pages |
352-362 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Size, number density and volume fraction of nano-precipitates are important microstructural parameters controlling the strengthening of materials. In this work a widely accessible, convenient, moderately time efficient method with acceptable accuracy and precision has been provided for measurement of volume fraction of nano-precipitates in crystalline materials. The method is based on the traditional but highly accurate technique of measuring foil thickness via convergent beam electron diffraction. A new equation is proposed and verified with the aid of 3-dimensional atom probe (3DAP) analysis, to compensate for the additional error resulted from the hardly distinguishable contrast of too short incomplete precipitates cut by the foil surface. The method can be performed on a regular foil specimen with a modem LaB6 or field-emission-gun transmission electron microscope. Precisions around +/- 16% have been obtained for precipitate volume fractions of needle-like beta ''/C and Q precipitates in an aged Al-Mg-Si-Cu alloy. The measured number density is dose to that directly obtained using 3DAP analysis by a misfit of 45%, and the estimated precision for number density measurement is about +/- 11%. The limitations of the method are also discussed. |
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 |
000383292000042 |
Publication Date |
2016-06-07 |
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 |
1044-5803 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.714 |
Times cited |
9 |
Open Access |
|
Notes |
This work is financially supported by National Natural Science Foundation of China (51501230 and 51531009) and Postdoctoral Science Foundation of Central South University (502042057). H.I. acknowledges the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs under Contract No. P7/21 and FWO project G.0576.09N. |
Approved |
Most recent IF: 2.714 |
Call Number |
EMAT @ emat @ c:irua:137171 |
Serial |
4334 |
Permanent link to this record |
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Author |
Li, H.; Pandey, T.; Jiang, Y.; Gu, X.; Lindsay, L.; Koh, Y.K. |
Title |
Origins of heat transport anisotropy in MoTe₂ and other bulk van der Waals materials |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Materials Today Physics |
Abbreviated Journal |
|
Volume |
37 |
Issue |
|
Pages |
101196-101198 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Knowledge of how heat flows anisotropically in van der Waals (vdW) materials is crucial for thermal management of emerging 2D materials devices and design of novel anisotropic thermoelectric materials. Despite the importance, anisotropic heat transport in vdW materials is yet to be systematically studied and is often presumably attributed to anisotropic speeds of sound in vdW materials due to soft interlayer bonding relative to covalent in-plane networks of atoms. In this work, we investigate the origins of the anisotropic heat transport in vdW materials, through time-domain thermoreflectance (TDTR) measurements and first-principles calculations of anisotropic thermal conductivity of three different phases of MoTe2. MoTe2 is ideal for the study due to its weak anisotropy in the speeds of sound. We find that even when the speeds of sound are roughly isotropic, the measured thermal conductivity of MoTe2 along the c-axis is 5-8 times lower than that along the in-plane axes. We derive meaningful characteristic heat capacity, phonon group velocity, and relaxation times from our first principles calculations for selected vdW materials (MoTe2, BP, h-BN, and MoS2), to assess the contributions of these factors to the anisotropic heat transport. Interestingly, we find that the main contributor to the heat transport anisotropy in vdW materials is anisotropy in heat capacity of the dominant heat-carrying phonon modes in different directions, which originates from anisotropic optical phonon dispersion and disparity in the frequency of heat-carrying phonons in different directions. The discrepancy in frequency of the heat-carrying phonons also leads to similar to 2 times larger average relaxation times in the cross-plane direction, and partially explains the apparent dependence of the anisotropic heat transport on the anisotropic speeds of sound. This work provides insight into understanding of the anisotropic heat transport in vdW materials. |
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 |
001093005700001 |
Publication Date |
2023-08-09 |
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 |
2542-5293 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
11.5 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 11.5; 2023 IF: NA |
Call Number |
UA @ admin @ c:irua:201295 |
Serial |
9070 |
Permanent link to this record |
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Author |
Li, C.-F.; Zhao, K.; Liao, X.; Hu, Z.-Y.; Zhang, L.; Zhao, Y.; Mu, S.; Li, Y.; Li, Y.; Van Tendeloo, G.; Sun, C. |
Title |
Interface cation migration kinetics induced oxygen release heterogeneity in layered lithium cathodes |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Energy Storage Materials |
Abbreviated Journal |
|
Volume |
36 |
Issue |
|
Pages |
115-122 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The irreversible release of the lattice oxygen in layered cathodes is one of the major degradation mechanisms of lithium ion batteries, which accounts for a number of battery failures including the voltage/capacity fade, loss of cation ions and detachment of the primary particles, etc. Oxygen release is generally attributed to the stepwise thermodynamic controlled phase transitions from the layered to spinel and rock salt phases. Here, we report a strong kinetic effect from the mobility of cation ions, whose migration barrier can be significantly modulated by the phase epitaxy at the degrading interface. It ends up with a clear oxygen release heterogeneity and completely different reaction pathways between the thin and thick areas, as well as the interparticle valence boundaries, both of which widely exist in the mainstream cathode design with the secondary agglomerates. This work unveils the origin of the heterogenous oxygen release in the layered cathodes. It also sheds light on the rational design of cathode materials with enhanced oxygen stability by suppressing the cation migration. |
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 |
000620584300009 |
Publication Date |
2020-12-24 |
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 |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:176654 |
Serial |
6730 |
Permanent link to this record |
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Author |
Li, B.; Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M. |
Title |
Dielectric mismatch effect on shallow impurity states in a semiconductor nanowire |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
77 |
Issue |
|
Pages |
115335,1-10 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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 |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000254542800131 |
Publication Date |
2008-03-19 |
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 |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
24 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
Call Number |
UA @ lucian @ c:irua:69630 |
Serial |
692 |
Permanent link to this record |
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|
|
Author |
Li, B.; Peeters, F.M. |
Title |
Tunable optical Aharonov-Bohm effect in a semiconductor quantum ring |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
83 |
Issue |
11 |
Pages |
115448-115448,13 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
By applying an electric field perpendicular to a semiconductor quantum ring we show that it is possible to modify the single particle wave function between quantum dot (QD)-like and ring-like. The constraints on the geometrical parameters of the quantum ring to realize such a transition are derived. With such a perpendicular electric field we are able to tune the Aharanov-Bohm (AB) effect for both the single particle and for excitons. The tunability is in both the strength of the AB effect as well as in its periodicity. We also investigate the strain induce potential inside the self-assembled quantum ring and the effect of the strain on the AB effect. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000288855200012 |
Publication Date |
2011-03-28 |
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 |
25 |
Open Access |
|
Notes |
; This work was supported by the EU-NoE: SANDiE, the Flemish Science Foundation (FWO-Vl), the Interuniversity Attraction Poles, Belgium State, Belgium Science Policy, and IMEC, vzw collaborative project. We are grateful to Prof. M. Tadic and Dr. Fei Ding for stimulating discussions. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:89376 |
Serial |
3744 |
Permanent link to this record |
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|
|
Author |
Li, B.; Djotyan, A.P.; Hao, Y.L.; Avetisyan, A.A.; Peeters, F.M. |
Title |
Effect of a perpendicular magnetic field on the shallow donor states near a semiconductor-metal interface |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
7 |
Pages |
075313-75319 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We investigate the influence of an external perpendicular magnetic field on the lowest-energy states of an electron bound to a donor which is located near a semiconductor-metal interface. The problem is treated within the effective mass approach and the lowest-energy states are obtained through (1) the “numerically exact” finite element method, and (2) a variational approach using a trial wave function where all image charges that emerge due to the presence of the metallic gate are taken into account. The trial wave functions are constructed such that they reduce to an exponential behavior for sufficiently small magnetic fields and become Gaussian for intermediate and large magnetic fields. The average electron-donor distance can be controlled by the external magnetic field. We find that the size of the 2p(z) state depends strongly on the magnetic field when the donor is close to the interface, showing a nonmonotonic behavior, in contrast with the ground and the other excited states. DOI: 10.1103/PhysRevB.87.075313 |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
Language |
|
Wos |
000314874800017 |
Publication Date |
2013-02-13 |
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 |
1 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:107664 |
Serial |
793 |
Permanent link to this record |
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|
|
Author |
Leusink, D.P.; Coneri, F.; Hoek, M.; Turner, S.; Idrissi, H.; Van Tendeloo, G.; Hilgenkamp, H. |
Title |
Thin films of the spin ice compound Ho2Ti2O7 |
Type |
A1 Journal article |
Year |
2014 |
Publication |
APL materials |
Abbreviated Journal |
Apl Mater |
Volume |
2 |
Issue |
3 |
Pages |
032101-32107 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
The pyrochlore compounds Ho2Ti2O7 and Dy2Ti2O7 show an exotic form of magnetism called the spin ice state, resulting from the interplay between geometrical frustration and ferromagnetic coupling. A fascinating feature of this state is the appearance of magnetic monopoles as emergent excitations above the degenerate ground state. Over the past years, strong effort has been devoted to the investigation of these monopoles and other properties of the spin ice state in bulk crystals. Here, we report the fabrication of Ho2Ti2O7 thin films using pulsed laser deposition on yttria-stabilized ZrO2 substrates. We investigated the structural properties of these films by X-ray diffraction, scanning transmission electron microscopy, and atomic force microscopy, and the magnetic properties by vibrating sample magnetometry at 2 K. The films not only show a high crystalline quality, but also exhibit the hallmarks of a spin ice: a pronounced magnetic anisotropy and an intermediate plateau in the magnetization along the [111] crystal direction. |
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 |
000334220300002 |
Publication Date |
2014-03-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2166-532X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.335 |
Times cited |
18 |
Open Access |
|
Notes |
The authors acknowledge support from the Dutch FOM and NWO foundations and from the European Union under the Framework 7 program under a contract from an Integrated Infrastructure Initiative (Reference 312483 ESTEEM2). G.V.T. acknowledges the ERC Grant N246791- COUNTATOMS. S.T. gratefully acknowledges financial support from the Fund for Scientific Research Flanders (FWO). H.I. acknowledges the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs under Contract No. P7/21. The microscope used in this study was partially financed by the Hercules Foundation of the Flemish Government. The authors acknowledge fruitful interactions with A. Brinkman, M. G. Blamire, M. Egilmez, F. J. G. Roesthuis, J. N. Beukers, C. G. Molenaar, M. Veldhorst, and X. Renshaw Wang; esteem2_ta |
Approved |
Most recent IF: 4.335; 2014 IF: NA |
Call Number |
UA @ lucian @ c:irua:115555 |
Serial |
3641 |
Permanent link to this record |
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|
|
Author |
Leus, K.; Folens, K.; Nicomel, N.R.; Perez, J.P.H.; Filippousi, M.; Meledina, M.; Dirtu, M.M.; Turner, S.; Van Tendeloo, G.; Garcia, Y.; Du Laing, G.; Van Der Voort, P. |
Title |
Removal of arsenic and mercury species from water by covalent triazine framework encapsulated \gamma-Fe2O3 nanoparticles |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
J Hazard Mater |
Volume |
353 |
Issue |
353 |
Pages |
312-319 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The covalent triazine framework, CTF-1, served as host material for the in situ synthesis of Fe2O3 nanoparticles. The composite material consisted of 20 +/- 2 m% iron, mainly in gamma-Fe2O3 phase. The resulting gamma-Fe2O3@CTF-1 was examined for the adsorption of As-III, As-V and H-II from synthetic solutions and real surface-, ground- and wastewater. The material shows excellent removal efficiencies, independent from the presence of Ca2+, Mg2+ or natural organic matter and only limited dependency on the presence of phosphate ions. Its adsorption capacity towards arsenite (198.0 mg g(-1)), arsenate (102.3 mg g(-1)) and divalent mercury (165.8 mg g(-1)) belongs amongst the best-known adsorbents, including many other iron-based materials. Regeneration of the adsorbent can be achieved for use over multiple cycles without a decrease in performance by elution at 70 degrees C with 0.1 M NaOH, followed by a stirring step in a 5 m% H2O2 solution for As or 0.1 M thiourea and 0.001 M HCl for Hg. In highly contaminated water (100 mu gL(-1)), the adsorbent polishes the water quality to well below the current WHO limits. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
Language |
|
Wos |
000438002800035 |
Publication Date |
2018-04-16 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0304-3894 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.065 |
Times cited |
22 |
Open Access |
OpenAccess |
Notes |
; Karen Leus acknowledges financial support from Ghent University. Nina Ricci Nicomel and Jeffrey Paulo H. Perez thank the funding of the VLIR-UOS. Marinela M. Dirtu acknowledges F.R.S.-FNRS for a Charge de recherches position. Stuart Turner gratefully acknowledges the FWO Vlaanderen for a post-doctoral scholarship. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the Belgian IAP-PAI network. ; |
Approved |
Most recent IF: 6.065 |
Call Number |
UA @ lucian @ c:irua:152430 |
Serial |
5124 |
Permanent link to this record |
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|
Author |
Leus, K.; Dendooven, J.; Tahir, N.; Ramachandran, R.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Goeman, J.; Van der Eycken, J.; Detavernier, C.; Van Der Voort, P. |
Title |
Atomic Layer Deposition of Pt Nanoparticles within the Cages of MIL-101: A Mild and Recyclable Hydrogenation Catalyst |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Nanomaterials |
Abbreviated Journal |
Nanomaterials-Basel |
Volume |
6 |
Issue |
6 |
Pages |
45 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
We present the in situ synthesis of Pt nanoparticles within MIL-101-Cr (MIL = Materials Institute Lavoisier) by means of atomic layer deposition (ALD). The obtained Pt@MIL-101 materials were characterized by means of N2 adsorption and X-ray powder diffraction (XRPD) measurements, showing that the structure of the metal organic framework was well preserved during the ALD deposition. X-ray fluorescence (XRF) and transmission electron microscopy (TEM) analysis confirmed the deposition of highly dispersed Pt nanoparticles with sizes determined by the MIL-101-Cr pore sizes and with an increased Pt loading for an increasing number of ALD cycles. The Pt@MIL-101 material was examined as catalyst in the hydrogenation of different linear and cyclic olefins at room temperature, showing full conversion for each substrate. Moreover, even under solvent free conditions, full conversion of the substrate was observed. A high concentration test has been performed showing that the Pt@MIL-101 is stable for a long reaction time without loss of activity, crystallinity and with very low Pt leaching. |
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 |
000373533300009 |
Publication Date |
2016-03-09 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2079-4991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.553 |
Times cited |
19 |
Open Access |
|
Notes |
Karen Leus acknowledges the financial support from the Ghent University “Bijzonder Onderzoeksfonds” BOF post-doctoral Grant 01P06813T and UGent “Geconcentreeerde Onderzoekacties” GOA Grant 01G00710. Jolien Dendooven and Stuart Turner gratefully acknowledges the “Fonds Wetenschappelijk Onderzoek” FWO Vlaanderen for a post-doctoral scholarship. Christophe Detavernier thanks the FWO Vlaanderen, BOF-UGent (GOA 01G01513) and the Hercules Foundation (AUGE/09/014) for financial support. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the “Belgian Interuniversitaire Attractie Pool-Pôle d'Attraction Interuniversitaire” IAP-PAI network. |
Approved |
Most recent IF: 3.553 |
Call Number |
c:irua:131902 |
Serial |
4015 |
Permanent link to this record |
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|
Author |
Leroux, F.; Gysemans, M.; Bals, S.; Batenburg, K.J.; Snauwaert, J.; Verbiest, T.; van Haesendonck, C.; Van Tendeloo, G. |
Title |
Three-dimensional characterization of helical silver nanochains mediated by protein assemblies |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
Volume |
22 |
Issue |
19 |
Pages |
2193-2197 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
Abstract |
Characterization methods for the structural investigation of biotemplates for nanodevices remain widely unexplored, despite the fact that biotemplating methods for nanodevice fabrication are becoming more widespread. In this study several techniques are used to characterize the morphology and 3D distribution of silver nanoparticles deposited on insulin fibrils. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000278601400016 |
Publication Date |
2010-03-11 |
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 |
0935-9648;1521-4095; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
19.791 |
Times cited |
51 |
Open Access |
|
Notes |
Esteem 026019; Fwo |
Approved |
Most recent IF: 19.791; 2010 IF: NA |
Call Number |
UA @ lucian @ c:irua:83296 |
Serial |
3645 |
Permanent link to this record |
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|
Author |
Leroux, C.; Nihoul, G.; Van Tendeloo, G. |
Title |
From VO2(B) to VO2(R): theoretical structures of VO2 polymorphs and in situ electron microscopy |
Type |
A1 Journal article |
Year |
1998 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
57 |
Issue |
9 |
Pages |
5111-5121 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
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 |
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Language |
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Wos |
000072358600037 |
Publication Date |
2002-07-27 |
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 |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
122 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 1998 IF: NA |
Call Number |
UA @ lucian @ c:irua:25658 |
Serial |
1290 |
Permanent link to this record |
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|
Author |
Lepoittevin, C.; Malo, S.; Nguyen, N.; Hebert, S.; Van Tendeloo, G.; Hervieu, M. |
Title |
A layered iron-rich 2234-type with a mixed valence of iron: the ferrimagnetic Tl-doped Fe2(Sr2-\varepsilonTl\varepsilon)Sr3Fe4O14.65 |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
20 |
Issue |
20 |
Pages |
6468-6476 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A new Tl-doped strontium ferrite Fe2(Sr2-Tl)Sr3Fe4O14.65, with an original structure, has been synthesized and structurally characterized by powder X-ray diffraction and transmission electron microscopy. The TGA and Mssbauer studies evidence a mixed valence of iron. The structure exhibits a commensurate modulation, with a F-type subcell a ≈ b ≈ 5.4 Å (≈ ap√2), c ≈ 42 Å with a modulation vector q = αa* with α = 0.4. The supercell parameters have been refined as a= 27.1101(8) Å, b= 5.5187(2) Å and c= 42.0513(9) Å, in the space group Fmmm. The electron diffraction and electron microscopy data of this novel ferrite show that it can be described as a FeTl-2234-type structure corresponding to the intergrowth of a quadruple perovskite slice [(SrFeO2.8)4], with a complex rock salt related slice [Fe2(Sr2-Tl)O3.4]∞, built up of one double iron layer [Fe2O2.4] sandwiched between two [SrO] layers. The HRTEM images show that the oxygen atoms and vacancies are randomly distributed in the perovskite layers while the HAADF STEM images evidence the absence of Tl segregation in the matrix. Fe2(Sr2-Tl)Sr3Fe4O14.65 exhibits a very large value of χ (11emu/mol) at 5 K, which remains large at 400 K; the M(H) loop presents a shape characteristic of ferrimagnetism, with a large coercive field of 0.3 T. The value of magnetization saturates at 400 K at 0.68 μB/Fe. At 10 K, the value of magnetization reaches a maximum of 2 μB/Fe. The resistivity presents a semiconducting-like behavior, with ρ 800 Ω·cm at 300 K. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000260254400030 |
Publication Date |
2008-09-25 |
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 |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 9.466; 2008 IF: 5.046 |
Call Number |
UA @ lucian @ c:irua:76671 |
Serial |
1804 |
Permanent link to this record |
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|
|
Author |
Lei, C.H.; Van Tendeloo, G.; Siegert, M.; Schubert, J. |
Title |
Microstructural investigation of BaTiO3 thin films deposited on (001) MgO |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Journal of materials research |
Abbreviated Journal |
J Mater Res |
Volume |
17 |
Issue |
8 |
Pages |
1923-1931 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The microstructure of BaTiO3 thin films, epitaxially deposited on (001) MgO by pulsed laser ablation, has been investigated by transmission electron microscopy. The films are always c-axis-orientated, but dislocations, {111} stacking faults, and antiphase boundaries are frequently observed. Conventional TEM and high-resolution microscopy allow one to deduce the Burgers vectors of dislocations as b(1) = <100> or b(2) = <110>, both being perfect dislocations. Most extrinsic stacking faults are ending at 1/3<112> or 1/3<111> partial dislocations; the displacement vector of the antiphase boundaries is 1/2<101>. Studying the interfacial structure by means of zone images taken along [100] and [110] shows that the misfit is mainly released by dislocations with Burgers vectors of 1/2<110> and 1/2<101>. |
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 |
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Language |
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Wos |
000177208800010 |
Publication Date |
2008-03-06 |
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 |
|
ISSN |
0884-2914;2044-5326; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.673 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.673; 2002 IF: 1.530 |
Call Number |
UA @ lucian @ c:irua:103343 |
Serial |
2044 |
Permanent link to this record |
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|
|
Author |
Leenaerts, O.; Vercauteren, S.; Schoeters, B.; Partoens, B. |
Title |
System-size dependent band alignment in lateral two-dimensional heterostructures |
Type |
A1 Journal article |
Year |
2016 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
Volume |
3 |
Issue |
3 |
Pages |
025012 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The electronic band alignment in semiconductor heterostructures is a key factor for their use in electronic applications. The alignment problem has been intensively studied for bulk systems but is less well understood for low-dimensional heterostructures. In this work we investigate the alignment in two-dimensional lateral heterostructures. First-principles calculations are used to show that the electronic band offset depends crucially on the width and thickness of the heterostructure slab. The particular heterostructures under study consist of thin hydrogenated and fluorinated diamond slabs which are laterally joined together. Two different limits for the band offset are observed. For infinitely wide heterostructures the vacuum potential above the two materials is aligned leading to a large step potential within the heterostructure. For infinitely thick heterostructure slabs, on the other hand, there is no potential step in the heterostructure bulk, but a large potential step in the vacuum region above the heterojunction is observed. The band alignment in finite systems depends on the particular dimensions of the system. These observations are shown to result from an interface dipole at the heterojunction that tends to align the band structures. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
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Wos |
000378571400032 |
Publication Date |
2016-04-13 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.937 |
Times cited |
19 |
Open Access |
|
Notes |
This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government— department EWI. |
Approved |
Most recent IF: 6.937 |
Call Number |
c:irua:132792 c:irua:132792 |
Serial |
4055 |
Permanent link to this record |
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|
|
Author |
Leenaerts, O.; Schoeters, B.; Partoens, B. |
Title |
Stable kagome lattices from group IV elements |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
115202 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A thorough investigation of three-dimensional kagome lattices of group IV elements is performed with first-principles calculations. The investigated kagome lattices of silicon and germanium are found to be of similar stability as the recently proposed carbon kagome lattice. Carbon and silicon kagome lattices are both direct-gap semiconductors but they have qualitatively different electronic band structures. While direct optical transitions between the valence and conduction bands are allowed in the carbon case, no such transitions can be observed for silicon. The kagome lattice of germanium exhibits semimetallic behavior but can be transformed into a semiconductor after compression. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
|
Wos |
000351900700003 |
Publication Date |
2015-03-10 |
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 |
12 |
Open Access |
|
Notes |
; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government – department EWI. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:125516 |
Serial |
3144 |
Permanent link to this record |
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|
|
Author |
Leenaerts, O.; Sahin, H.; Partoens, B.; Peeters, F.M. |
Title |
First-principles investigation of B- and N-doped fluorographene |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
88 |
Issue |
3 |
Pages |
035434-35435 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The effect of substitutional doping of fluorographene with boron and nitrogen atoms on its electronic and magnetic properties is investigated using first-principles calculations. It is found that boron dopants can be readily incorporated in the fluorographene crystal where they act as shallow acceptors and cause hole doping, but no changes in the magnetic properties are observed. Nitrogen dopants act as deep donors and give rise to a magnetic moment, but the resulting system becomes chemically unstable. These results are opposite to what was found for substitutional doping of graphane, i.e., hydrogenated graphene, in which case B substituents induce magnetism and N dopants do not. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
|
Wos |
000322083700002 |
Publication Date |
2013-07-22 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. H.S. is supported by a FWO Pegasus-long Marie Curie Fellowship. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:109807 |
Serial |
1210 |
Permanent link to this record |
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|
|
Author |
Leenaerts, O.; Peelaers, H.; Hernández-Nieves, A.D.; Partoens, B.; Peeters, F.M. |
Title |
First-principles investigation of graphene fluoride and graphane |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
82 |
Issue |
19 |
Pages |
195436,1-195436,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Different stoichiometric configurations of graphane and graphene fluoride are investigated within density-functional theory. Their structural and electronic properties are compared, and we indicate the similarities and differences among the various configurations. Large differences between graphane and graphene fluoride are found that are caused by the presence of charges on the fluorine atoms. A configuration that is more stable than the boat configuration is predicted for graphene fluoride. We also perform GW calculations for the electronic band gap of both graphene derivatives. These band gaps and also the calculated Youngs moduli are at variance with available experimental data. This might indicate that the experimental samples contain a large number of defects or are only partially covered with H or F. |
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 |
000284399200004 |
Publication Date |
2010-11-18 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
367 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-V1), the NOI-BOF of the University of Antwerp, the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (Grant No. FW/08/01). A.D.H. also acknowledges support from ANPCyT (Grant No. PICT 2008-2236). ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:86916 |
Serial |
1212 |
Permanent link to this record |
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|
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Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
Title |
Adsorption of H2O, NH3, CO, NO2, and NO on graphene: a first-principles study |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
77 |
Issue |
|
Pages |
125416,1-6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Motivated by the recent realization of graphene sensors to detect individual gas molecules, we investigate the adsorption of H2O, NH3, CO, NO2, and NO on a graphene substrate using first-principles calculations. The optimal adsorption position and orientation of these molecules on the graphene surface is determined and the adsorption energies are calculated. Molecular doping, i.e., charge transfer between the molecules and the graphene surface, is discussed in light of the density of states and the molecular orbitals of the adsorbates. The efficiency of doping of the different molecules is determined and the influence of their magnetic moment is discussed. |
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 |
|
Wos |
000254543000133 |
Publication Date |
2008-03-18 |
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 |
1392 |
Open Access |
|
Notes |
This work was supported by the Flemish Science Foundation FWO-Vl, by the NOI-BOF of the University of Antwerp, and by the Belgian Science Policy IAP. |
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
Call Number |
UA @ lucian @ c:irua:69634 |
Serial |
67 |
Permanent link to this record |
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Author |
Lebedev, O.I.; Verbeeck, J.; Van Tendeloo, G.; Shapoval, O.; Belenchuk, A.; Moshnyaga, V.; Damaschke, B.; Samwer, K. |
Title |
Structural phase transitions and stress accommodation in (La0.67Ca0.33MnO3)1.x:(MgO)x composite films |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
66 |
Issue |
10 |
Pages |
104421,1-10 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Composite (La0.67Ca0.33MnO3)(1-x):(MgO)(x) films were prepared by metalorganic aerosol deposition on a (100)MgO substrate for different concentrations of the (MgO) phase (0less than or equal toxless than or equal to0.8). At xapproximate to0.3 a percolation threshold in conductivity is reached, at which an infinite insulating MgO cluster forms around the La0.67Ca0.33MnO3 grains. This yields a drastic increase of the electrical resistance for films with x>0.3. The film structure is characterized by x-ray diffraction and transmission electron microscopy. The local structure of the La0.67Ca0.33MnO3 within the film depends on the MgO concentration which grows epitaxially along the domain boundaries. A different structural phase transition from the orthorhombic Pnma structure to an unusual rhombohedral R (3) over barc structure at the percolation threshold xapproximate to0.3 is found for La0.67Ca0.33MnO3. A three-dimensional stress accommodation in thick films through a phase transition is suggested. |
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 |
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Language |
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Wos |
000178460900060 |
Publication Date |
2002-09-25 |
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 |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
48 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2002 IF: NA |
Call Number |
UA @ lucian @ c:irua:54740 |
Serial |
3250 |
Permanent link to this record |
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Author |
Lebedev, O.I.; Van Tendeloo, G.; Licci, F.; Gilioli, E.; Gauzzi, A.; Prodi, A.; Marezio, M. |
Title |
Superconductivity and microstructure of YSr2Cu3O6.875 |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
66 |
Issue |
|
Pages |
132510,1-4 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
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 |
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Language |
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Wos |
000179067900042 |
Publication Date |
2002-10-29 |
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 |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
9 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2002 IF: NA |
Call Number |
UA @ lucian @ c:irua:54742 |
Serial |
3371 |
Permanent link to this record |
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Author |
Lebedev, O.I.; Van Tendeloo, G.; Cristiani, G.; Habermeier, H.-U.; Matveev, A.T. |
Title |
Structure-properties relationship in ferromagnetic superconducting RuSr2GdCu2O8 |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
71 |
Issue |
|
Pages |
134523,1-8 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
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 |
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Language |
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Wos |
000228761800097 |
Publication Date |
2005-04-28 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
|
Notes |
Iap V-1 |
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
Call Number |
UA @ lucian @ c:irua:54747 |
Serial |
3316 |
Permanent link to this record |
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Author |
Lebedev, O.I.; Van Tendeloo, G.; Attfield, J.P.; McLaughlin, A.C. |
Title |
Defect structure of ferromagnetic superconducting RuSr2GdCu2O8 |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
73 |
Issue |
22 |
Pages |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The structure and defect structure of superconducting ferromagnetic bulk RuSr2GdCu2O8 has been investigated using high-resolution transmission electron microscopy and high-resolution scanning transmission microscopy. Two distinct, but closely related structures, due to ordering of rotated RuO6 octahedra and due to Cu substitution in the Ru-O layer, have been revealed. The structure of Ru1-xSr2GdCu2+xO8-delta can be described as a periodic alteration along the c axis of CuO4 planes and RuO6 octahedra. The unit-cell parameters of this phase are root 2a(p) x root 2a(p) x 2c. The possible influence of this phase and defect structure on the sensitivity of the superconductivity and magnetic properties is discussed. Local defects such as 90 S domain boundaries, (130) antiphase boundaries, and the associated dislocations are analyzed. |
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 |
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Language |
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Wos |
000238696300115 |
Publication Date |
2006-06-26 |
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 |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
11 |
Open Access |
|
Notes |
Iap V-I |
Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
Call Number |
UA @ lucian @ c:irua:59707 |
Serial |
619 |
Permanent link to this record |
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Author |
Lebedev, O.I.; Van Tendeloo, G.; Amelinckx, S.; Leibold, B.; Habermeier, H.U.; Phillipp, F. |
Title |
Structure and magnetotransport properties of La2/3Ca1/3MnO3 thin films prepared by pulsed laser deposition |
Type |
P1 Proceeding |
Year |
1998 |
Publication |
Materials Research Society symposium proceedings
T2 – Symposium on Advances in Laser Ablation of Materials at the 1998 MRS, Spring Meeting, April 13-16, 1998, San Francisco, Calif. |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
219-224 |
Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT) |
Abstract |
La1-xCaxMnO3-delta (LCMO) thin films are grown by pulsed laser deposition on a (100) SrTiO3 substrate at temperatures between 530 degrees C and 890 degrees C. The magnetotransport properties show a high negative magnetoresistance and a shift of the maximum of the R(T) curve as function of temperature. The Curie temperature changes with deposition temperature and film quality in the range of 100-220K. The film quality is characterised by X-ray diffraction and transmission electron microscopy (TEM); film and target compositions were verified by atomic emission spectroscopy. The local structure of the film depends on the growth conditions and substrate temperature. TEM reveals a slight distortion of the film leading to a breakdown of the symmetry from orthorhombic to monoclinic. At the highest growth temperatures, a well defined interface is observed within the LCMO film, parallel to the substrate surface; this interface divides the film into two lamellae with a different microstructure. The lamella close to the substrate is perfectly coherent with the substrate, suggesting that it is strained as a result of the lattice parameter mismatch; the upper lamella shows a typical domain structure with unusual translation interfaces characterised by a displacement vector of the type 1/2[010](m) and 1/2[001](m) when referred ten the monoclinic lattice. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
Materials research society |
Place of Publication |
Warrendale |
Editor |
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Language |
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Wos |
000077696000032 |
Publication Date |
2011-04-05 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
526 |
Series Issue |
|
Edition |
|
ISSN |
1946-4274; |
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:95838 |
Serial |
3283 |
Permanent link to this record |