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Author |
Simionovici, A.S.; Chukalina, M.; Schroer, C.; Drakopoulos, M.; Snigirev, A.; Snigireva, I.; Lengeler, B.; Janssens, K.; Adams, F. |
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Title |
High-resolution X-ray fluorescence microtomography of homogeneous samples |
Type |
A1 Journal article |
| |
Year |
2000 |
Publication |
IEEE transactions on nuclear science |
Abbreviated Journal |
Ieee T Nucl Sci |
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Volume |
47 |
Issue |
6 |
Pages |
2736-2740 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Wos |
000166992400006 |
Publication Date |
2002-08-24 |
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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 |
0018-9499 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.171 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 1.171; 2000 IF: 1.060 |
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Call Number |
UA @ admin @ c:irua:32403 |
Serial |
5644 |
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| Permanent link to this record |
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Author |
Hadermann, J.; Abakumov, A.M. |
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Title |
Structure solution and refinement of metal-ion battery cathode materials using electron diffraction tomography |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
And Materials |
Abbreviated Journal |
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Volume |
75 |
Issue |
4 |
Pages |
485-494 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The applicability of electron diffraction tomography to the structure solution and refinement of charged, discharged or cycled metal-ion battery positive electrode (cathode) materials is discussed in detail. As these materials are often only available in very small amounts as powders, the possibility of obtaining single-crystal data using electron diffraction tomography (EDT) provides unique access to crucial information complementary to X-ray diffraction, neutron diffraction and high-resolution transmission electron microscopy techniques. Using several examples, the ability of EDT to be used to detect lithium and refine its atomic position and occupancy, to solve the structure of materials ex situ at different states of charge and to obtain in situ data on structural changes occurring upon electrochemical cycling in liquid electrolyte is discussed. |
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Wos |
000480512600002 |
Publication Date |
2019-08-05 |
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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 |
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Impact Factor |
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Times cited |
2 |
Open Access |
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Notes |
; The following funding is acknowledged: Fonds Wetenschappelijk Onderzoek (grant No. G040116N); Russian Foundation of Basic Research (grant No. 17-03-00370-a). ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:161846 |
Serial |
5397 |
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Author |
de Nolf, W.; Vanmeert, F.; Janssens, K. |
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Title |
XRDUA : crystalline phase distribution maps by two-dimensional scanning and tomographic (micro) X-ray powder diffraction |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal of applied crystallography |
Abbreviated Journal |
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Volume |
47 |
Issue |
3 |
Pages |
1107-1117 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Imaging of crystalline phase distributions in heterogeneous materials, either plane projected or in virtual cross sections of the object under investigation, can be achieved by scanning X-ray powder diffraction employing X-ray micro beams and X-ray-sensitive area detectors. Software exists to convert the two-dimensional powder diffraction patterns that are recorded by these detectors to one-dimensional diffractograms, which may be analysed by the broad variety of powder diffraction software developed by the crystallography community. However, employing these tools for the construction of crystalline phase distribution maps proves to be very difficult, especially when employing micro-focused X-ray beams, as most diffraction software tools have mainly been developed having structure solution in mind and are not suitable for phase imaging purposes. XRDUA has been developed to facilitate the execution of the complete sequence of data reduction and interpretation steps required to convert large sequences of powder diffraction patterns into a limited set of crystalline phase maps in an integrated fashion. |
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Wos |
000336738500031 |
Publication Date |
2014-05-28 |
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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 |
0021-8898 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
62 |
Open Access |
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Notes |
; The authors would like to thank the synchrotron beamline staff at ID15 (ESRF, Grenoble, France), MicroXAS (SLS, Villigen, Switzerland) and PO6/BL-L (Petra III/Hasylab, Hamburg, Germany) for accommodating the experiments presented in this paper. Support from FWO 'Big Science' project G0C1213N as well as from the BELSPO project 'S2ART' (SD/RI/04A) is acknowledged. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:117758 |
Serial |
5920 |
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Author |
Arakcheeva, A.; Pattison, P.; Chapuis, G.; Rossell, M.; Filaretov, A.; Morozov, V.; Van Tendeloo, G. |
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Title |
KSm(MoO4)2, an incommensurately modulated and partially disordered scheelite-like structure |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Acta crystallographica: section B: structural science |
Abbreviated Journal |
Acta Crystallogr B |
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Volume |
64 |
Issue |
Part 2 |
Pages |
160-171 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The incommensurately modulated scheelite-like KSm( MoO4)(2) structure has been refined in the monoclinic superspace group I2/b(alpha beta 0)00 by the Rietveld method on the basis of synchrotron radiation powder diffraction data. The systematic broadening of satellite reflections has been accounted for by applying anisotropic microstrain line-broadening. The microstructure has been studied by transmission electron microscopy (TEM). The partial disorder of the K and Sm cations in the A position is best approximated by a combination of harmonic and complex crenel functions with (0.952Sm + 0.048K) and (0.952K + 0.048Sm) atomic domains. This combination yields a compositional wave distribution from {KMoO4} to {SmMoO4} observed in the ab structure projection along q. The specific features of KSm(MoO4)(2) and degree of the A-cation ordering are discussed in comparison with the previously reported structure of KNd(MoO4)(2). |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Copenhagen |
Editor |
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Language |
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Wos |
000253992600004 |
Publication Date |
2008-03-28 |
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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 |
0108-7681; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
23 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:102618 |
Serial |
3539 |
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| Permanent link to this record |
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Author |
Tirry, W.; Schryvers, D.; Jorissen, K.; Lamoen, D. |
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Title |
Electron-diffraction structure refinement of Ni4Ti3 precipitates in Ni52Ti48 |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Acta crystallographica: section B: structural science |
Abbreviated Journal |
Acta Crystallogr B |
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Volume |
62 |
Issue |
6 |
Pages |
966-971 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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 |
Copenhagen |
Editor |
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Language |
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Wos |
000241992300003 |
Publication Date |
2006-11-16 |
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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 |
0108-7681; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
30 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:61578 |
Serial |
923 |
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| Permanent link to this record |
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Author |
Abakumov, A.M.; Shpanchenko, R.V.; Lebedev, O.I.; Van Tendeloo, G.; Amelinckx, S.; Antipov, E.V. |
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Title |
The phase transition and crystal structures of Ba3RM2O7.5 complex oxides (R=rare-earth elements, M = Al,Ga) |
Type |
A1 Journal article |
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Year |
1999 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
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Volume |
55 |
Issue |
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Pages |
828-839 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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 |
Copenhagen |
Editor |
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Language |
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Wos |
000082727000006 |
Publication Date |
2002-07-27 |
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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 |
0108-7673; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.725 |
Times cited |
7 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.725; 1999 IF: 1.601 |
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Call Number |
UA @ lucian @ c:irua:29716 |
Serial |
2591 |
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| Permanent link to this record |
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Author |
Richard, O.; Schuddinck, W.; Van Tendeloo, G.; Millange, F.; Hervieu, M.; Caignaert, C.; Raveau, B. |
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Title |
Room temperature and low-temperature structure of Nd1-xCaxMnO3 (0.3*x*0.5) |
Type |
A1 Journal article |
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Year |
1999 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
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Volume |
55 |
Issue |
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Pages |
704-718 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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 |
Copenhagen |
Editor |
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Language |
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Wos |
000081697500013 |
Publication Date |
2002-07-27 |
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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 |
0108-7673; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.725 |
Times cited |
24 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.725; 1999 IF: 1.601 |
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Call Number |
UA @ lucian @ c:irua:29715 |
Serial |
2929 |
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| Permanent link to this record |
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Author |
Michel, K.H.; Lamoen, D.; David, W.I.F. |
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Title |
Orientational order and disorder in solid C60 : theory and diffraction experiments |
Type |
A1 Journal article |
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Year |
1995 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
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Volume |
51 |
Issue |
3 |
Pages |
365-374 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Starting from a microscope model of the intermolecular potential, a unified description is presented of the Bragg scattering law in the orientationally disordered and in the ordered phase of solid C-60. The orientational structure factor is expanded in terms of symmetry-adapted surface harmonics. The expansion coefficients are calculated from theory and compared with experiment Their temperature evolution is studied in the disordered phase at the 260 K transitions and in the ordered phase. In the ordered phase, new results from high-resolution neutron powder diffraction are given. In the disordered phase, space group Fm $($) over bar$$ 3m, the reflections have A(1g) symmetry; in the ordered phase, space group Pa $$($) over bar 3, reflections of T-2g symmetry appear and in addition the A(1g) reflections are renormalized. The orientational density distribution is calculated. The effective crystal-field potential is constructed, its temperature evolution in the ordered phase is studied and related to the occurrence of an orientational glass. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Copenhagen |
Editor |
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Language |
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Wos |
A1995RB59400018 |
Publication Date |
2002-07-27 |
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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 |
0108-7673; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.307 |
Times cited |
14 |
Open Access |
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Notes |
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Approved |
CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 # |
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Call Number |
UA @ lucian @ c:irua:12189 |
Serial |
2518 |
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Author |
Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Mehbod, M.; Deltour, R. |
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Title |
The incommensurate structure of (Sr, Ca)14Cu24O41: a study by electron diffraction and high-resolution microscopy |
Type |
A1 Journal article |
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Year |
1992 |
Publication |
Acta crystallographica |
Abbreviated Journal |
Acta Crystallogr A |
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Volume |
A48 |
Issue |
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Pages |
618-625 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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 |
Copenhagen |
Editor |
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Language |
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Wos |
A1992JF29900028 |
Publication Date |
2002-07-27 |
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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 |
0108-7673; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.307 |
Times cited |
22 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:4440 |
Serial |
1595 |
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| Permanent link to this record |
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Author |
Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D. |
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Title |
Temperature-dependent Debye-Waller factors for semiconductors with the wurtzite-type structure |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
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Volume |
65 |
Issue |
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Pages |
227-231 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We computed Debye-Waller factors in the temperature range from 0.1 to 1000 K for AlN, GaN, InN, ZnO and CdO with the wurtzite-type structure. The Debye-Waller factors were derived from phonon densities of states obtained from Hellmann-Feynman forces computed within the density-functional-theory formalism. The temperature dependences of the Debye-Waller factors were fitted and fit parameters are given. |
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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 |
Copenhagen |
Editor |
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Language |
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Wos |
000264927100006 |
Publication Date |
2009-03-12 |
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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 |
0108-7673; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.725 |
Times cited |
23 |
Open Access |
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Notes |
Fwo G.0425.05; Esteem 026019 |
Approved |
Most recent IF: 5.725; 2009 IF: 49.926 |
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Call Number |
UA @ lucian @ c:irua:74565 |
Serial |
3497 |
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| Permanent link to this record |
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Author |
Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D. |
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Title |
Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
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| |
Volume |
65 |
Issue |
1 |
Pages |
5-17 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We calculated the temperature dependence of the Debye-Waller factors for a variety of group IV, III-V and II-VI semiconductors from 0.1 to 1000 K. The approach used to fit the temperature dependence is described and resulting fit parameters are tabulated for each material. The Debye-Waller factors are deduced from generalized phonon densities of states which were derived from first principles using the WIEN2k and the ABINIT codes. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Copenhagen |
Editor |
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Language |
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Wos |
000261799500002 |
Publication Date |
2008-11-05 |
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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 |
0108-7673; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.725 |
Times cited |
51 |
Open Access |
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Notes |
Fwo G.0425.05; Esteem 026019 |
Approved |
Most recent IF: 5.725; 2009 IF: 49.926 |
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| |
Call Number |
UA @ lucian @ c:irua:72918 |
Serial |
453 |
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| Permanent link to this record |
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Author |
Hadermann, J.; Van Tendeloo, G.; Abakumov, A.M. |
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Title |
Transmission electron microscopy and structural phase transitions in anion-deficient perovskite-based oxides |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
Acta crystallographica: section A: foundations of crystallography |
Abbreviated Journal |
Acta Crystallogr A |
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Volume |
61 |
Issue |
1 |
Pages |
77-92 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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 |
Copenhagen |
Editor |
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Language |
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Wos |
000225865500008 |
Publication Date |
2004-12-22 |
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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 |
0108-7673; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
5.725 |
Times cited |
18 |
Open Access |
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Notes |
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Approved |
Most recent IF: 5.725; 2005 IF: 1.791 |
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| |
Call Number |
UA @ lucian @ c:irua:51442 |
Serial |
3706 |
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| Permanent link to this record |
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Author |
Bogomolova, A.; Hruby, M.; Panek, J.; Rabyk, M.; Turner, S.; Bals, S.; Steinhart, M.; Zhigunov, A.; Sedlacek, O.; Stepanek, P.; Filippov, S.K.; |
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Title |
Small-angle X-ray scattering and light scattering study of hybrid nanoparticles composed of thermoresponsive triblock copolymer F127 and thermoresponsive statistical polyoxazolines with hydrophobic moieties |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Journal of applied crystallography |
Abbreviated Journal |
J Appl Crystallogr |
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Volume |
46 |
Issue |
6 |
Pages |
1690-1698 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
A combination of new thermoresponsive statistical polyoxazolines, poly[(2-butyl-2-oxazoline)-stat-(2-isopropyl-2-oxazoline)] [pBuOx-co-piPrOx], with different hydrophobic moieties and F127 surfactant as a template system for the creation of thermosensitive nanoparticles for radionuclide delivery has recently been tested [Pánek, Filippov, Hrubý, Rabyk, Bogomolova, Kučka Stěpánek (2012). Macromol. Rapid Commun.33, 16831689]. It was shown that the presence of the thermosensitive F127 triblock copolymer in solution reduces nanoparticle size and polydispersity. This article focuses on a determination of the internal structure and solution properties of the nanoparticles in the temperature range from 288 to 312 K. Here, it is demonstrated that below the cloud point temperature (CPT) the polyoxazolines and F127 form complexes that co-exist in solution with single F127 molecules and large aggregates. When the temperature is raised above the CPT, nanoparticles composed of polyoxazolines and F127 are predominant in solution. These nanoparticles could be described by a spherical shell model. It was found that the molar weight and hydrophobicity of the polymer do not influence the size of the outer radius and only slightly change the inner radius of the nanoparticles. At the same time, molar weight and hydrophobicity did affect the process of nanoparticle formation. In conclusion, poly(2-oxazoline) molecules are fully incorporated inside of F127 micelles, and this result is very promising for the successful application of such systems in radionuclide delivery. |
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| |
Address |
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Copenhagen |
Editor |
|
|
| |
Language |
|
Wos |
000327070000020 |
Publication Date |
2013-11-06 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-8898; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
18 |
Open Access |
|
|
| |
Notes |
262348 Esmi; Fwo; Iap-Pai |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:112420 |
Serial |
3042 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Shi, W.; Pandey, T.; Lindsay, L.; Woods, L.M. |
|
| |
Title |
Vibrational properties and thermal transport in quaternary chalcogenides : the case of Te-based compositions |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Physical review materials |
Abbreviated Journal |
|
|
| |
Volume |
5 |
Issue |
4 |
Pages |
045401 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Vibrational thermal properties of CuZn2InTe4, AgZn2InTe4, and Cu2CdSnTe4, derived from binary II-VI zinc-blendes, are reported based on first-principles calculations. While the chalcogenide atoms in these materials have the same lattice positions, the cation atom arrangements vary, resulting in different crystal symmetries and subsequent properties. The compositional differences have important effects on the vibrational thermal characteristics of the studied materials, which demonstrate that low-frequency optical phonons hybridize with acoustic phonons and lead to enhanced phonon-phonon scattering and low lattice thermal conductivities. The phonon density of states, mode Gruneisen parameters, and phonon scattering rates are also calculated, enabling deeper insight into the microscopic thermal conduction processes in these materials. Compositional variations drive differences among the three materials considered here; nonetheless, their structural similarities and generally low thermal conductivities (0.5-4 W/mK at room temperature) suggest that other similar II-VI zinc-blende derived materials will also exhibit similarly low values, as also corroborated by experimental data. This, combined with the versatility in designing a variety of motifs on the overall structure, makes quaternary chalcogenides interesting for thermal management and energy conversion applications that require low thermal conductivity. |
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| |
Address |
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| |
Corporate Author |
|
Thesis |
|
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| |
Publisher |
|
Place of Publication |
|
Editor |
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|
| |
Language |
|
Wos |
000655931400005 |
Publication Date |
2021-04-01 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:179140 |
Serial |
7045 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Kalashami, H.G.; Neek-Amal, M.; Peeters, F.M. |
|
| |
Title |
Slippage dynamics of confined water in graphene oxide capillaries |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
|
|
| |
Volume |
2 |
Issue |
7 |
Pages |
074004 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The permeation of water between neighboring graphene oxide (GO) flakes, i.e., 2D nanochannels, are investigated using a simple model for the GO membrane. We simulate the hydrophilic behavior of nanocapillaries and study the effect of surface charge on the dynamical properties of water flow and the influence of Na+ and Cl- ions on water permeation. Our approach is based on extensive equilibrium molecular dynamics simulations to obtain a better understanding of water permeation through charged nanochannels in the presence of ions. We found significant change in the slippage dynamics of confined water such as a profound increase in viscosity/slip length with increasing charges over the surface. The slip length decreases one order of magnitude (i.e., 1/30) with increasing density of surface charge, while it increases by a factor of 2 with ion concentration. We found that commensurability induced by nanoconfinement plays an important role on the intrinsic dynamical properties of water. |
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| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
American Physical Society |
Place of Publication |
College Park, Md |
Editor |
|
|
| |
Language |
|
Wos |
000439435200006 |
Publication Date |
2018-07-23 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
1 |
Open Access |
|
|
| |
Notes |
; We acknowledge fruitful discussions with Andre K. Geim, Irina Grigorieva, and Rahul R. Nair. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:152409UA @ admin @ c:irua:152409 |
Serial |
5128 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Khazaei, M.; Wang, V.; Sevik, C.; Ranjbar, A.; Arai, M.; Yunoki, S. |
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| |
Title |
Electronic structures of iMAX phases and their two-dimensional derivatives: A family of piezoelectric materials |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
|
|
| |
Volume |
2 |
Issue |
7 |
Pages |
074002 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Recently, a group of MAX phases, (Mo2/3Y1/3)(2)AlC, (Mo2/3Sc1/3)(2)AlC, (W2/3Sc1/3)(2)AlC,(W2/3Y1/3)(2)AlC, and (V-2/3 Zr-1/3)(2)AlC, with in-plane ordered double transition metals, named iMAX phases, have been synthesized. Experimentally, some of these MAX phases can be chemically exfoliated into two-dimensional (2D) single- or multilayered transition metal carbides, so-called MXenes. Accordingly, the 2D nanostructures derived from iMAX phases are named iMXenes. Here we investigate the structural stabilities and electronic structures of the experimentally discovered iMAX phases and their possible iMXene derivatives. We show that the iMAX phases and their pristine, F, or OH-terminated iMXenes are metallic. However, upon 0 termination, (Mo2/3Y1/3)(2)C, (Mo2/3Sc1/3)(2)C, (W2/3Y1/3)(2)C, and (W2/3Sc1/3)(2)C iMXenes turn into semiconductors. Owing to the absence of centrosymmetry, the semiconducting iMXenes may find applications in piezoelectricity. Our calculations reveal that the semiconducting iMXenes possess giant piezoelectric coefficients as large as 45 x 10(-)(10) C/m. |
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| |
Address |
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| |
Corporate Author |
|
Thesis |
|
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000438354500001 |
Publication Date |
2018-07-12 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:193791 |
Serial |
7876 |
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| Permanent link to this record |
| |
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| |
|
Author |
Andelkovic, M.; Covaci, L.; Peeters, F.M. |
|
| |
Title |
DC conductivity of twisted bilayer graphene: Angle-dependent transport properties and effects of disorder |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
|
|
| |
Volume |
2 |
Issue |
3 |
Pages |
034004 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The in-plane dc conductivity of twisted bilayer graphene is calculated using an expansion of the real-space Kubo-Bastin conductivity in terms of Chebyshev polynomials. We investigate within a tight-binding approach the transport properties as a function of rotation angle, applied perpendicular electric field, and vacancy disorder. We find that for high-angle twists, the two layers are effectively decoupled, and the minimum conductivity at the Dirac point corresponds to double the value observed in monolayer graphene. This remains valid even in the presence of vacancies, hinting that chiral symmetry is still preserved. On the contrary, for low twist angles, the conductivity at the Dirac point depends on the twist angle and is not protected in the presence of disorder. Furthermore, for low angles and in the presence of an applied electric field, we find that the chiral boundary states emerging between AB and BA regions contribute to the dc conductivity, despite the appearance of localized states in the AA regions. The results agree qualitatively with recent transport experiments in low-angle twisted bilayer graphene. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
American Physical Society |
Place of Publication |
College Park, Md |
Editor |
|
|
| |
Language |
|
Wos |
000427822700002 |
Publication Date |
2018-03-20 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
27 |
Open Access |
|
|
| |
Notes |
; We acknowledge financial support from the graphene FLAG-ERA project TRANS2DTMD. ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:150838UA @ admin @ c:irua:150838 |
Serial |
4964 |
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| Permanent link to this record |
| |
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| |
|
Author |
Zhang, H.; Gauquelin, N.; McMahon, C.; Hawthorn, D.G.; Botton, G.A.; Wei, J.Y.T. |
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| |
Title |
Synthesis of high-oxidation Y-Ba-Cu-O phases in superoxygenated thin films |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review materials |
Abbreviated Journal |
|
|
| |
Volume |
2 |
Issue |
3 |
Pages |
033803 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
It is known that solid-state reaction in high-pressure oxygen can stabilize high-oxidation phases of Y-Ba-Cu-O superconductors in powder form. We extend this superoxygenation concept of synthesis to thin films which, due to their large surface-to-volume ratio, are more reactive thermodynamically. Epitaxial thin films of YBa2Cu3O7-delta grown by pulsed laser deposition are annealed at up to 700 atm O-2 and 900 degrees C, in conjunction with Cu enrichment by solid-state diffusion. The films show the clear formation of Y2Ba4Cu7O15-delta and Y2Ba4Cu8O16 as well as regions of YBa2Cu5O9-delta and YBa2Cu6O10-delta phases, according to scanning transmission electron microscopy, x-ray diffraction, and x-ray absorption spectroscopy. Similarly annealed YBa2Cu3O7-delta powders show no phase conversion. Our results demonstrate a route of synthesis towards discovering more complex phases of cuprates and other superconducting oxides. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
American Physical Society |
Place of Publication |
College Park, Md |
Editor |
|
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| |
Language |
|
Wos |
000428244900004 |
Publication Date |
2018-03-26 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
2 |
Open Access |
Not_Open_Access |
|
| |
Notes |
; This work is supported by NSERC, CFI-OIT, and CIFAR. The electron microscopy work was carried out at the Canadian Centre for Electron Microscopy, a National Facility supported by the Canada Foundation for Innovation under the Major Science Initiative program, McMaster University, and NSERC. The XAS work was performed at the Canadian Light Source, which is supported by NSERC, NRC, CIHR, and the University of Saskatchewan. ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:150829 |
Serial |
4982 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Schweigert, I.V.; Schweigert, V.A.; Peeters, F.M. |
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| |
Title |
Melting of the classical bilayer Wigner crystal: influence of the lattice symmetry |
Type |
A1 Journal article |
| |
Year |
1999 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
| |
Volume |
82 |
Issue |
|
Pages |
5293-5296 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
http://anet.uantwerpen.be/docman/irua/f3d874/7910.pdf |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
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| |
Language |
|
Wos |
000081152700029 |
Publication Date |
2002-07-27 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
8.462 |
Times cited |
64 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 8.462; 1999 IF: 6.095 |
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| |
Call Number |
UA @ lucian @ c:irua:24151 |
Serial |
1988 |
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| Permanent link to this record |
| |
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| |
|
Author |
Rios, P.L.; Perali, A.; Needs, R.J.; Neilson, D. |
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| |
Title |
Evidence from quantum Monte Carlo simulations of large-gap superfluidity and BCS-BEC crossover in double electron-hole layers |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
| |
Volume |
120 |
Issue |
17 |
Pages |
177701 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We report quantum Monte Carlo evidence of the existence of large gap superfluidity in electron-hole double layers over wide density ranges. The superfluid parameters evolve from normal state to BEC with decreasing density, with the BCS state restricted to a tiny range of densities due to the strong screening of Coulomb interactions, which causes the gap to rapidly become large near the onset of superfluidity. The superfluid properties exhibit similarities to ultracold fermions and iron-based superconductors, suggesting an underlying universal behavior of BCS-BEC crossovers in pairing systems. |
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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 |
New York, N.Y. |
Editor |
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| |
Language |
|
Wos |
000430547800002 |
Publication Date |
2018-04-23 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0031-9007 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
8.462 |
Times cited |
11 |
Open Access |
|
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| |
Notes |
; The authors thank G. Baym, M. Bonitz, and G. Senatore for useful discussions. A. P. and D. N. acknowledge financial support from University of Camerino FAR project CESEMN and from the Italian MIUR through the PRIN 2015 program under Contract No. 2015C5SEJJ001. R. J. N. acknowledges financial support from the Engineering and Physical Sciences Research Council, U.K., under Grant No. EP/ P034616/1. P. L. R. acknowledges financial support from the Max-Planck Society. Computational resources have been provided by the High Performance Computing Service of the University of Cambridge and by the Max-Planck Institute for Solid State Research. ; |
Approved |
Most recent IF: 8.462 |
|
| |
Call Number |
UA @ lucian @ c:irua:150750UA @ admin @ c:irua:150750 |
Serial |
4967 |
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| Permanent link to this record |
| |
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| |
|
Author |
Kalina, R.; Szafran, B.; Bednarek, S.; Peeters, F.M. |
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| |
Title |
Magnetic-field asymmetry of electron wave packet transmission in bent channels capacitively coupled to a metal gate |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
| |
Volume |
102 |
Issue |
6 |
Pages |
066807,1-066807,4 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We study the electron wave packet moving through a bent channel. We demonstrate that the packet transmission probability becomes an asymmetric function of the magnetic field when the electron packet is capacitively coupled to a metal plate. The coupling occurs through a nonlinear potential which translates a different kinetics of the transport for opposite magnetic-field orientations into a different potential felt by the scattered electron. |
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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 |
New York, N.Y. |
Editor |
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| |
Language |
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Wos |
000263389500056 |
Publication Date |
2009-02-12 |
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| |
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 |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
8.462 |
Times cited |
14 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 8.462; 2009 IF: 7.328 |
|
| |
Call Number |
UA @ lucian @ c:irua:76315 |
Serial |
1867 |
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| Permanent link to this record |
| |
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| |
|
Author |
Domingos, J.L.C.; Peeters, F.M.; Ferreira, W.P. |
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| |
Title |
Self-assembly of rigid magnetic rods consisting of single dipolar beads in two dimensions |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review E |
Abbreviated Journal |
Phys Rev E |
|
| |
Volume |
96 |
Issue |
1 |
Pages |
012603 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Molecular dynamics simulations are used to investigate the structural properties of a two-dimensional ensemble of magnetic rods, which are modeled as aligned single dipolar beads. The obtained self-assembled configurations can be characterized as (1) clusters, (2) percolated, and (3) ordered structures, and their structural properties are investigated in detail. By increasing the aspect ratio of the magnetic rods, we show that the percolation transition is suppressed due to the reduced mobility of the rods in two dimensions. Such a behavior is opposite to the one observed in three dimensions. A magnetic bulk phase is found with local ferromagnetic order and an unusual nonmonotonic behavior of the nematic order is observed. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000405713900014 |
Publication Date |
2017-07-18 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2470-0045;2470-0053; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.366 |
Times cited |
8 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Brazilian agencies FUNCAP, CAPES, program Science without borders, and CNPq (Project No. 400748/2013-4), the joint CNPq-FWO bilateral project, and the Flemish Science Foundation (FWO-V1). ; |
Approved |
Most recent IF: 2.366 |
|
| |
Call Number |
UA @ lucian @ c:irua:145210 |
Serial |
4723 |
|
| Permanent link to this record |
| |
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| |
|
Author |
Apolinario, S.W.S.; Peeters, F.M. |
|
| |
Title |
Binary dusty plasma Coulomb balls |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
|
| |
Volume |
83 |
Issue |
4 |
Pages |
041136,1-041136,8 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We investigated the mixing and segregation of a system consisting of two different species of particles, having different charges, interacting through a pure Coulomb potential, and confined in a three-dimensional parabolic trap. The structure of the cluster and its normal mode spectrum are analyzed as a function of the relative charge and the relative number of different types of particles. We found that (a) the system can be in a mixed or segregated state depending on the relative charge ratio parameter and (b) the segregation process is mediated by a first or second order structural phase transition which strongly influences the magic cluster properties of the system. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
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| |
Language |
|
Wos |
000290154900004 |
Publication Date |
2011-04-29 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.366 |
Times cited |
10 |
Open Access |
|
|
| |
Notes |
; This work was supported by FACEPE (Fundacao de Amparo a Ciencia e Tecnologia do Estado de Pernambuco) and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 2.366; 2011 IF: 2.255 |
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| |
Call Number |
UA @ lucian @ c:irua:89716 |
Serial |
236 |
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| Permanent link to this record |
| |
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| |
|
Author |
Tkachenko, D.V.; Misko, V.R.; Peeters, F.M. |
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| |
Title |
Effect of correlated noise on quasi-one-dimensional diffusion |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
|
| |
Volume |
82 |
Issue |
5 |
Pages |
051102-051102,5 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Single-file diffusion (SFD) of an infinite one-dimensional chain of interacting particles has a long-time mean-square displacement ∝t1/2, independent of the type of interparticle repulsive interaction. This behavior is also observed in finite-size chains, although only for certain intervals of time t depending on the chain length L, followed by the ∝t for t→∞, as we demonstrate for a closed circular chain of diffusing interacting particles. Here, we show that spatial correlation of noise slows down SFD and can result, depending on the amount of correlated noise, in either subdiffusive behavior ∝tα, where 0<α<1/2, or even in a total suppression of diffusion (in the limit N→∞). Spatial correlation can explain the subdiffusive behavior in recent SFD experiments in circular channels. |
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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 |
|
Wos |
000283710100001 |
Publication Date |
2010-11-02 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.366 |
Times cited |
11 |
Open Access |
|
|
| |
Notes |
; We acknowledge discussions with M. Saint-Jean. This work was supported by the “Odysseus” program of the Flemish Government and the Flemish Science Foundation (FWO-VI). ; |
Approved |
Most recent IF: 2.366; 2010 IF: 2.352 |
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| |
Call Number |
UA @ lucian @ c:irua:85799 |
Serial |
806 |
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| Permanent link to this record |
| |
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| |
|
Author |
de Bleecker, K.; Bogaerts, A.; Gijbels, R.; Goedheer, W. |
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| |
Title |
Numerical investigation of particle formation mechanisms in silane discharges |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics |
Abbreviated Journal |
Phys Rev E |
|
| |
Volume |
69 |
Issue |
|
Pages |
056409,1-16 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
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| |
Address |
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| |
Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
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| |
Language |
|
Wos |
000221813400085 |
Publication Date |
2004-05-26 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.366 |
Times cited |
74 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.366; 2004 IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:45497 |
Serial |
2396 |
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| Permanent link to this record |
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| |
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Author |
Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M. |
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| |
Title |
Cation-controlled permeation of charged polymers through nanocapillaries |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Physical review E |
Abbreviated Journal |
Phys Rev E |
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| |
Volume |
107 |
Issue |
3 |
Pages |
034501-34510 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Molecular dynamics simulations are used to study the effects of different cations on the permeation of charged polymers through flat capillaries with heights below 2 nm. Interestingly, we found that, despite being monovalent, Li+ , Na+ , and K+ cations have different effects on polymer permeation, which consequently affects their transmission speed throughout those capillaries. We attribute this phenomenon to the interplay of the cations' hydration free energies and the hydrodynamic drag in front of the polymer when it enters the capillary. Different alkali cations exhibit different surface versus bulk preferences in small clusters of water under the influence of an external electric field. This paper presents a tool to control the speed of charged polymers in confined spaces using cations. |
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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 |
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Editor |
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| |
Language |
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Wos |
000955986000006 |
Publication Date |
2023-03-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2470-0053 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.4 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.4; 2023 IF: 2.366 |
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| |
Call Number |
UA @ admin @ c:irua:196089 |
Serial |
7586 |
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| Permanent link to this record |
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| |
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Author |
Scuracchio, P.; Michel, K.H.; Peeters, F.M. |
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| |
Title |
Phonon hydrodynamics, thermal conductivity, and second sound in two-dimensional crystals |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
99 |
Issue |
14 |
Pages |
144303 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Starting from our previous work in which we obtained a system of coupled integrodifferential equations for acoustic sound waves and phonon density fluctuations in two-dimensional (2D) crystals, we derive here the corresponding hydrodynamic equations, and we study their consequences as a function of temperature and frequency. These phenomena encompass propagation and damping of acoustic sound waves, diffusive heat conduction, second sound, and Poiseuille heat flow, all of which are characterized by specific transport coefficients. We calculate these coefficients by means of correlation functions without using the concept of relaxation time. Numerical calculations are performed as well in order to show the temperature dependence of the transport coefficients and of the thermal conductivity. As a consequence of thermal tension, mechanical and thermal phenomena are coupled. We calculate the dynamic susceptibilities for displacement and temperature fluctuations and study their resonances. Due to the thermomechanical coupling, the thermal resonances such as the Landau-Placzek peak and the second-sound doublet appear in the displacement susceptibility, and conversely the acoustic sound wave doublet appears in the temperature susceptibility, Our analytical results not only apply to graphene, but they are also valid for arbitrary 2D crystals with hexagonal symmetry, such as 2D hexagonal boron nitride, 2H-transition-metal dichalcogenides, and oxides. |
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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 |
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Editor |
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| |
Language |
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Wos |
000464717300006 |
Publication Date |
2019-04-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
|
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| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836 |
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| |
Call Number |
UA @ admin @ c:irua:159346 |
Serial |
5225 |
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| Permanent link to this record |
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Author |
Mirzakhani, M.; Zarenia, M.; Vasilopoulos, P.; Peeters, F.M. |
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Title |
Electrostatically confined trilayer graphene quantum dots |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
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| |
Volume |
95 |
Issue |
15 |
Pages |
155434 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Electrically gating of trilayer graphene (TLG) opens a band gap offering the possibility to electrically engineer TLG quantum dots. We study the energy levels of such quantum dots and investigate their dependence on a perpendicular magnetic field B and different types of stacking of the graphene layers. The dots are modeled as circular and confined by a truncated parabolic potential which can be realized by nanostructured gates or position-dependent doping. The energy spectra exhibit the intervalley symmetry E-K(e) (m) = -E (h)(K') (m) for the electron (e) and hole (h) states, where m is the angular momentum quantum number and K and K' label the two valleys. The electron and hole spectra for B = 0 are twofold degenerate due to the intervalley symmetry E-K (m) = E-K' [-(m + 1)]. For both ABC [alpha = 1.5 (1.2) for large (small) R] and ABA (alpha = 1) stackings, the lowest-energy levels show approximately a R-alpha dependence on the dot radius R in contrast with the 1/R-3 one for ABC-stacked dots with infinite-mass boundary. As functions of the field B, the oscillator strengths for dipole-allowed transitions differ drastically for the two types of stackings. |
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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 |
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Editor |
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Language |
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Wos |
000399797200003 |
Publication Date |
2017-04-22 |
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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 |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
6 |
Open Access |
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:152652 |
Serial |
7878 |
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| Permanent link to this record |
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Author |
Takatsu, H.; Hernandez, O.; Yoshimune, W.; Prestipino, C.; Yamamoto, T.; Tassel, C.; Kobayashi, Y.; Batuk, D.; Shibata, Y.; Abakumov, A.M.; Brown, C.M.; Kageyama, H. |
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Title |
Cubic lead perovskite PbMoO3 with anomalous metallic behavior |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
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| |
Volume |
95 |
Issue |
15 |
Pages |
155105 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
A previously unreported Pb-based perovskite PbMoO3 is obtained by high-pressure and high-temperature synthesis. This material crystallizes in the Pm3m cubic structure at room temperature, making it distinct from typical Pb-based perovskite oxides with a structural distortion. PbMoO3 exhibits a metallic behavior down to 0.1 K with an unusual T-sublinear dependence of the electrical resistivity. Moreover, a large specific heat is observed at low temperatures accompanied by a peak in C-P/T-3 around 10 K, in marked contrast to the isostructural metallic system SrMoO3. These transport and thermal properties for PbMoO3, taking into account anomalously large Pb atomic displacements detected through diffraction experiments, are attributed to a low-energy vibrational mode, associated with incoherent off-centering of lone-pair Pb2+ cations. We discuss the unusual behavior of the electrical resistivity in terms of a polaronlike conduction, mediated by the strong coupling between conduction electrons and optical phonons of the local low-energy vibrational mode. |
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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 |
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Editor |
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| |
Language |
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Wos |
000440605700001 |
Publication Date |
2017-04-04 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
|
Edition |
|
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| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:167288 |
Serial |
7743 |
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| Permanent link to this record |
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Author |
Petrovic, M.D.; Peeters, F.M. |
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Title |
Fano resonances in the conductance of graphene nanoribbons with side gates |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
91 |
Issue |
91 |
Pages |
035444 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The control of side gates on the quantum electron transport in narrow graphene ribbons of different widths and edge types (armchair and zigzag) is investigated. The conductance exhibits Fano resonances with varying side gate potential. Resonant and antiresonant peaks in the conductance can be associated with the eigenstates of a closed system, and these peaks can be accurately fitted with a Fano line shape. The local density of states (LDOS) and the electron current show a specific behavior at these resonances, which depends on the ribbon edge type. In zigzag ribbons, transport is dominated by intervalley scattering, which is reflected in the transmission functions of individual modes. The side gates induce p-n interfaces near the edges at which the LDOS exhibits peaks. Near the resonance points, the electron current flows uniformly through the constriction, while near the antiresonances it creates vortices. In the armchair ribbons the LDOS spreads in areas of high potential, with current flowing near the edges. |
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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 |
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Editor |
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| |
Language |
|
Wos |
000351217900005 |
Publication Date |
2015-01-30 |
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| |
Series Editor |
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Series Title |
|
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 |
17 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Methusalem programme of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
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| |
Call Number |
c:irua:125422 |
Serial |
1172 |
|
| Permanent link to this record |
