Records |
Author |
Huvé, M.; Martin, C.; Van Tendeloo, G.; Maignan, A.; Michel, C.; Hervieu, M.; Raveau, B. |
Title |
A mercury-based “1201-0201” intergrowth HgBa2La2Cu2O8+x: a 53K superconductor |
Type |
A1 Journal article |
Year |
1994 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
Volume |
90 |
Issue |
|
Pages |
37-40 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
A1994ND06400008 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.897 |
Times cited |
7 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:10032 |
Serial |
1994 |
Permanent link to this record |
|
|
|
Author |
Martin, C.; Hervieu, M.; Van Tendeloo, G.; Goutenoire, F.; Michel, C.; Maignan, A.; Raveau, B. |
Title |
A mercury based cuprate with the “2212” structure: Hg2-x(Cu,Pr)xBa2PrCu2O8-\delta |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
Volume |
93 |
Issue |
1 |
Pages |
53-56 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
A1995PW08800013 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.897 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:13761 |
Serial |
1995 |
Permanent link to this record |
|
|
|
Author |
Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M. |
Title |
Mesoscopic field and current compensator based on a hybrid superconductor-ferromagnet structure |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
95 |
Issue |
|
Pages |
147004,1-4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000232229800059 |
Publication Date |
2005-09-30 |
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 |
44 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 8.462; 2005 IF: 7.489 |
Call Number |
UA @ lucian @ c:irua:57244 |
Serial |
1999 |
Permanent link to this record |
|
|
|
Author |
Shanenko, A.A.; Tempère, J.; Brosens, F.; Devreese, J.T. |
Title |
Mesoscopic samples: the superconducting condensate via the Gross.Pitaevskii scenario |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
Volume |
131 |
Issue |
|
Pages |
409-414 |
Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000223011700012 |
Publication Date |
2004-03-20 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0038-1098; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.554 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.554; 2004 IF: 1.523 |
Call Number |
UA @ lucian @ c:irua:48282 |
Serial |
2000 |
Permanent link to this record |
|
|
|
Author |
Ignatova, V.A.; Lebedev, O.I.; Watjen, U.; van Vaeck, L.; van Landuyt, J.; Gijbels, R.; Adams, F. |
Title |
Metal and composite nanocluster precipitate formation in silicon dioxide implanted with Sb+ ions |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
92 |
Issue |
8 |
Pages |
4336-4341 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000178318000024 |
Publication Date |
2002-10-07 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2002 IF: 2.281 |
Call Number |
UA @ lucian @ c:irua:39872 |
Serial |
2005 |
Permanent link to this record |
|
|
|
Author |
Lujan, G.S.; Sorée, B.; Magnus, W.; de Meyer, K. |
Title |
A method to calculate tunneling leakage currents in silicon inversion layers |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
100 |
Issue |
3 |
Pages |
033708,1-5 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000239764100051 |
Publication Date |
2006-08-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2006 IF: 2.316 |
Call Number |
UA @ lucian @ c:irua:60963 |
Serial |
2016 |
Permanent link to this record |
|
|
|
Author |
Hao, Y.L.; Peeters, F.M. |
Title |
Micro-Hall bar as a sensor to detect the interaction of nanoscale ferromagnetic disks and columns |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
101 |
Issue |
12 |
Pages |
123718,1-4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000247625700078 |
Publication Date |
2007-07-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
2.068 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2007 IF: 2.171 |
Call Number |
UA @ lucian @ c:irua:69646 |
Serial |
2022 |
Permanent link to this record |
|
|
|
Author |
Michel, K.H.; Copley, J.R.D.; Neumann, D.A. |
Title |
Microscopic theory of orientational disorder and the orientational phase transition in solid C60 |
Type |
A1 Journal article |
Year |
1992 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
68 |
Issue |
19 |
Pages |
2929-2932 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We have developed a microscopic theory which describes the orientational dynamics of C60 molecules in the face-centered-cubic phase of C60 fullerite. The molecular interaction potential and the crystal-field potential are formulated in terms of symmetry-adapted rotator functions. The phase transition to the Pa3BAR structure is driven by an active multipolar mode of T2g symmetry belonging to the l = 10 manifold. The Birman criterion is satisfied. The transition is found to be of first order. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
A1992HT64800019 |
Publication Date |
2002-07-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0031-9007; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
7.512 |
Times cited |
94 |
Open Access |
|
Notes |
|
Approved |
|
Call Number |
UA @ lucian @ c:irua:95492 |
Serial |
2032 |
Permanent link to this record |
|
|
|
Author |
Buffière, M.; Brammertz, G.; Batuk, M.; Verbist, C.; Mangin, D.; Koble, C.; Hadermann, J.; Meuris, M.; Poortmans, J. |
Title |
Microstructural analysis of 9.7% efficient Cu2ZnSnSe4 thin film solar cells |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
105 |
Issue |
18 |
Pages |
183903 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
This work presents a detailed analysis of the microstructure and the composition of our record Cu 2ZnSnSe4 (CZTSe)-CdS-ZnO solar cell with a total area efficiency of 9.7%. The average composition of the CZTSe crystallites is Cu 1.94 Zn 1.12Sn0.95Se3.99. Large crystals of ZnSe secondary phase (up to 400 nm diameter) are observed at the voids between the absorber and the back contact, while smaller ZnSe domains are segregated at the grain boundaries and close to the surface of the CZTSe grains. An underlying layer and some particles of Cu xSe are observed at the Mo-MoSe2-Cu2ZnSnSe4 interface. The free surface of the voids at the back interface is covered by an amorphous layer containing Cu, S, O, and C, while the presence of Cd, Na, and K is also observed in this region. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000345000000086 |
Publication Date |
2014-11-08 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951;1077-3118; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
17 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
Call Number |
UA @ lucian @ c:irua:121329 |
Serial |
2038 |
Permanent link to this record |
|
|
|
Author |
Laffez, P.; Van Tendeloo, G.; Seshadri, R.; Hervieu, M.; Martin, C.; Maignan, A.; Raveau, B. |
Title |
Microstructural and physical properties of layered manganite oxides related to the magnetoresistive perovskites |
Type |
A1 Journal article |
Year |
1996 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
80 |
Issue |
|
Pages |
5850-5856 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
A1996VU98700045 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.183 |
Times cited |
36 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:17848 |
Serial |
2039 |
Permanent link to this record |
|
|
|
Author |
Vassiliev, S.Y.; Laurinavichute, V.K.; Abakumov, A.M.; Govorov, V.A.; Bendovskii, E.B.; Turner, S.; Filatov, A.Y.; Tarasovskii, V.P.; Borzenko, A.G.; Alekseeva, A.M.; Antipov, E.V. |
Title |
Microstructural aspects of the degradation behavior of SnO2-based anodes for aluminum electrolysis |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of the electrochemical society |
Abbreviated Journal |
J Electrochem Soc |
Volume |
157 |
Issue |
5 |
Pages |
C178-C186 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The performance of SnO2 ceramic anodes doped with copper and antimony oxides was examined in cryolite alumina melts under anodic polarization at different cryolite ratios, temperatures, times, and current densities. The corroded part consists of a narrow strong corrosion zone at the anode surface with damage of the intergrain contacts and a large increase in porosity, a wider moderate corrosion zone with a smaller porosity increase, and a Cu depletion zone, where the ceramic retains its initial microstructure and a slight porosity increase occurs due to the removal of the Cu-rich inclusions. Mechanical destruction of the anode was never observed in the 10100 h tests. A microstructural model of the ceramic was suggested, consisting of grains with an Sb-doped SnO2 grain core surrounded by an ~200 to 500 nm grain shell where SnO2 was simultaneously doped with Sb and Mn+ (M=Cu2+,Fe3+,Al3+). The grains were separated by a few nanometers thick Cu-enriched grain boundaries. Different secondary charge carrier (holes) concentrations and electric conductivities in the grain core and grain shell result in a higher current density at the intergrain regions that leads to their profound degradation, especially in the low temperature acidic melt. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000276555300037 |
Publication Date |
2010-04-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0013-4651; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.259 |
Times cited |
3 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.259; 2010 IF: 2.427 |
Call Number |
UA @ lucian @ c:irua:82260 |
Serial |
2040 |
Permanent link to this record |
|
|
|
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 |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000177208800010 |
Publication Date |
2008-03-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
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 |
|
|
|
Author |
He, Z.; Tian, H.; Deng, G.; Xu, Q.; Van Tendeloo, G. |
Title |
Microstructure of bilayer manganite PrCa2Mn2O7 showing charge/orbital ordering |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
102 |
Issue |
21 |
Pages |
212902-212905 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The microstructure of the charge/orbital ordering Ruddleden-Popper phase PrCa2Mn2O7 was studied by transmission electron microscopy along both the [001] and the [110] orientation. Three coexisting charge/orbital ordering phases CO1, CO2, and CO3 were observed along the [001] orientation at room temperature. Different from the one-dimensional modulation in the CO1 and CO2 phase, the CO3 phase is characterized by two sets of mutually perpendicular structural modulations. From [110] high angle annular dark field-scanning transmission electron microscopy, we found that the Pr atoms locate in-between the bilayer MnO6 octahedra, which is different from the previous reports. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000320620400056 |
Publication Date |
2013-05-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
4 |
Open Access |
|
Notes |
Countatoms |
Approved |
Most recent IF: 3.411; 2013 IF: 3.515 |
Call Number |
UA @ lucian @ c:irua:108762 |
Serial |
2068 |
Permanent link to this record |
|
|
|
Author |
Lakrimi, M.; Khym, S.; Nicholas, R.J.; Symons, D.M.; Peeters, F.M.; Mason, N.J.; Walker, P.J. |
Title |
Mini-gaps and novel giant negative magnetoresistance in InAs/GaSb semimetallic superlattices |
Type |
A1 Journal article |
Year |
1997 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
79 |
Issue |
|
Pages |
3034-3037 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
A1997YB66400029 |
Publication Date |
0000-00-00 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0031-9007 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
8.462 |
Times cited |
66 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 8.462; 1997 IF: 6.140 |
Call Number |
UA @ lucian @ c:irua:19283 |
Serial |
2084 |
Permanent link to this record |
|
|
|
Author |
Vandenberghe, W.G.; Verhulst, A.S.; Kao, K.-H.; De Meyer, K.; Sorée, B.; Magnus, W.; Groeseneken, G. |
Title |
A model determining optimal doping concentration and material's band gap of tunnel field-effect transistors |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
100 |
Issue |
19 |
Pages |
193509-193509,4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We develop a model for the tunnel field-effect transistor (TFET) based on the Wentzel-Kramer-Brillouin approximation which improves over existing semi-classical models employing generation rates. We hereby introduce the concept of a characteristic tunneling length in direct semiconductors. Based on the model, we show that a limited density of states results in an optimal doping concentration as well as an optimal material's band gap to obtain the highest TFET on-current at a given supply voltage. The observed optimal-doping trend is confirmed by 2-dimensional quantum-mechanical simulations for silicon and germanium. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4714544] |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000304108000098 |
Publication Date |
2012-05-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
25 |
Open Access |
|
Notes |
; William Vandenberghe gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by IMEC's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
Call Number |
UA @ lucian @ c:irua:98948 |
Serial |
2105 |
Permanent link to this record |
|
|
|
Author |
Zhang, Y.-R.; Tinck, S.; De Schepper, P.; Wang, Y.-N.; Bogaerts, A. |
Title |
Modeling and experimental investigation of the plasma uniformity in CF4/O2 capacitively coupled plasmas, operating in single frequency and dual frequency regime |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Journal of vacuum science and technology: A: vacuum surfaces and films |
Abbreviated Journal |
J Vac Sci Technol A |
Volume |
33 |
Issue |
33 |
Pages |
021310 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A two-dimensional hybrid Monte Carlofluid model, incorporating a full-wave solution of Maxwell's equations, is employed to describe the behavior of high frequency (HF) and very high frequency capacitively coupled plasmas (CCPs), operating both at single frequency (SF) and dual frequency (DF) in a CF4/O2 gas mixture. First, the authors investigate the plasma composition, and the simulations reveal that besides CF4 and O2, also COF2, CF3, and CO2 are important neutral species, and CF+3 and F− are the most important positive and negative ions. Second, by comparing the results of the model with and without taking into account the electromagnetic effects for a SF CCP, it is clear that the electromagnetic effects are important, both at 27 and 60 MHz, because they affect the absolute values of the calculation results and also (to some extent) the spatial profiles, which accordingly affects the uniformity in plasma processing. In order to improve the plasma radial uniformity, which is important for the etch process, a low frequency (LF) source is added to the discharge. Therefore, in the major part of the paper, the plasma uniformity is investigated for both SF and DF CCPs, operating at a HF of 27 and 60 MHz and a LF of 2 MHz. For this purpose, the authors measure the etch rates as a function of position on the wafer in a wide range of LF powers, and the authors compare them with the calculated fluxes toward the wafer of the plasma species playing a role in the etch process, to explain the trends in the measured etch rate profiles. It is found that at a HF of 60 MHz, the uniformity of the etch rate is effectively improved by adding a LF power of 2 MHz and 300 W, while its absolute value increases by about 50%, thus a high etch rate with a uniform distribution is observed under this condition. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000355739500026 |
Publication Date |
2015-01-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0734-2101;1520-8559; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.374 |
Times cited |
3 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.374; 2015 IF: 2.322 |
Call Number |
c:irua:122650 |
Serial |
2107 |
Permanent link to this record |
|
|
|
Author |
Herrebout, D.; Bogaerts, A.; Yan, M.; Gijbels, R.; Goedheer, W.; Vanhulsel, A. |
Title |
Modeling of a capacitively coupled radio-frequency methane plasma: comparison between a one-dimensional and a two-dimensional fluid model |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
92 |
Issue |
5 |
Pages |
2290-2295 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000177548500011 |
Publication Date |
2002-09-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2002 IF: 2.281 |
Call Number |
UA @ lucian @ c:irua:40188 |
Serial |
2113 |
Permanent link to this record |
|
|
|
Author |
de Witte, H.; Vandervorst, W.; Gijbels, R. |
Title |
Modeling of bombardment induced oxidation of silicon |
Type |
A1 Journal article |
Year |
2001 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
89 |
Issue |
5 |
Pages |
3001-3011 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000167133000077 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
16 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2001 IF: 2.128 |
Call Number |
UA @ lucian @ c:irua:37253 |
Serial |
2119 |
Permanent link to this record |
|
|
|
Author |
Ariskin, D.A.; Schweigert, I.V.; Alexandrov, A.L.; Bogaerts, A.; Peeters, F.M. |
Title |
Modeling of chemical processes in the low pressure capacitive radio frequency discharges in a mixture of Ar/C2H2 |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
105 |
Issue |
6 |
Pages |
063305,1-063305,9 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We study the properties of a capacitive 13.56 MHz discharge with a mixture of Ar/C<sub>2</sub>H<sub>2</sub> taking into account the plasmochemistry and growth of heavy hydrocarbons. A hybrid model was developed to combine the kinetic description for electron motion and the fluid approach for negative and positive ion transports and plasmochemical processes. A significant change in plasma parameters related to injection of 5.8% portion of acetylene in argon was observed and analyzed. We found that the electronegativity of the mixture is about 30%. The densities of negatively and positively charged heavy hydrocarbons are sufficiently large to be precursors for the formation of nanoparticles in the discharge volume. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000264774000059 |
Publication Date |
2009-03-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
21 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2009 IF: 2.072 |
Call Number |
UA @ lucian @ c:irua:74496 |
Serial |
2121 |
Permanent link to this record |
|
|
|
Author |
Bogaerts, A.; Yan, M.; Gijbels, R.; Goedheer, W. |
Title |
Modeling of ionization of argon in an analytical capacitively coupled radio-frequency glow discharge |
Type |
A1 Journal article |
Year |
1999 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
86 |
Issue |
6 |
Pages |
2990-3001 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000082232400010 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
18 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 1999 IF: 2.275 |
Call Number |
UA @ lucian @ c:irua:28320 |
Serial |
2127 |
Permanent link to this record |
|
|
|
Author |
Depla, D.; Chen, Z.Y.; Bogaerts, A.; Ignatova, V.; de Gryse, R.; Gijbels, R. |
Title |
Modeling of the target surface modification by reactive ion implantation during magnetron sputtering |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Journal of vacuum science and technology: A: vacuum surfaces and films |
Abbreviated Journal |
J Vac Sci Technol A |
Volume |
22 |
Issue |
4 |
Pages |
1524-1529 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000223322000075 |
Publication Date |
2004-07-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0734-2101; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.374 |
Times cited |
13 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.374; 2004 IF: 1.557 |
Call Number |
UA @ lucian @ c:irua:47331 |
Serial |
2137 |
Permanent link to this record |
|
|
|
Author |
Payette, C.; Partoens, B.; Yu, G.; Gupta, J.A.; Austing, D.G.; Nair, S.V.; Amaha, S.; Tarucha, S. |
Title |
Modeling single-particle energy levels and resonance currents in a coherent electronic quantum dot mixer |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
94 |
Issue |
22 |
Pages |
222101,1-22101,3 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We present model calculations based on a coherent tunneling picture, which reproduce well both the single-particle energy level position and the resonant current strength at two typical anticrossings, one involving two levels and the other three levels in a coherent mixer composed of two weakly coupled vertical quantum dots. An essential ingredient is the inclusion of higher degree terms to account for deviations from an ideal elliptical parabolic confining potential in realistic dots. We also calculate density plots of the mixed states for the modified potential. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000266674300024 |
Publication Date |
2009-06-01 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2009 IF: 3.554 |
Call Number |
UA @ lucian @ c:irua:77380 |
Serial |
2139 |
Permanent link to this record |
|
|
|
Author |
O'Regan, T.P.; Hurley, P.K.; Sorée, B.; Fischetti, M.V. |
Title |
Modeling the capacitance-voltage response of In0.53Ga0.47As metal-oxide-semiconductor structures : charge quantization and nonparabolic corrections |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Applied Physics Letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
96 |
Issue |
21 |
Pages |
213514,1-213514,3 |
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
Abstract |
The capacitance-voltage (C-V) characteristic is calculated for p-type In<sub>0.53</sub>Ga<sub>0.47</sub>As metal-oxide-semiconductor (MOS) structures based on a self-consistent PoissonSchrödinger solution. For strong inversion, charge quantization leads to occupation of the satellite valleys which appears as a sharp increase in the capacitance toward the oxide capacitance. The results indicate that the charge quantization, even in the absence of interface defects (D<sub>it</sub>), is a contributing factor to the experimental observation of an almost symmetric C-V response for In<sub>0.53</sub>Ga<sub>0.47</sub>As MOS structures. In addition, nonparabolic corrections are shown to enhance the depopulation of the Γ valley, shifting the capacitance increase to lower inversion charge densities. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000278183200090 |
Publication Date |
2010-05-28 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
26 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2010 IF: 3.841 |
Call Number |
UA @ lucian @ c:irua:89509 |
Serial |
2143 |
Permanent link to this record |
|
|
|
Author |
Verhulst, A.; Sorée, B.; Leonelli, D.; Vandenberghe, W.G.; Groeseneken, G. |
Title |
Modeling the single-gate, double-gate, and gate-all-around tunnel field-effect transistor |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal Of Applied Physics |
Abbreviated Journal |
J Appl Phys |
Volume |
107 |
Issue |
2 |
Pages |
024518,1-024518,8 |
Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
Abstract |
Tunnel field-effect transistors (TFETs) are potential successors of metal-oxide-semiconductor FETs because scaling the supply voltage below 1 V is possible due to the absence of a subthreshold-swing limit of 60 mV/decade. The modeling of the TFET performance, however, is still preliminary. We have developed models allowing a direct comparison between the single-gate, double-gate, and gate-all-around configuration at high drain voltage, when the drain-voltage dependence is negligible, and we provide improved insight in the TFET physics. The dependence of the tunnel current on device parameters is analyzed, in particular, the scaling with gate-dielectric thickness, channel thickness, and dielectric constants of gate dielectric and channel material. We show that scaling the gate-dielectric thickness improves the TFET performance more than scaling the channel thickness and that improvements are often overestimated. There is qualitative agreement between our model and our experimental data. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000274180600122 |
Publication Date |
2010-01-28 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
150 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2010 IF: 2.079 |
Call Number |
UA @ lucian @ c:irua:89507 |
Serial |
2146 |
Permanent link to this record |
|
|
|
Author |
Wendelen, W.; Mueller, B.Y.; Autrique, D.; Bogaerts, A.; Rethfeld, B. |
Title |
Modeling ultrashort laser-induced emission from a negatively biased metal |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
103 |
Issue |
22 |
Pages |
221603-221604 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A theoretical study of ultrashort laser-induced electron emission from a negatively biased metallic cathode has been performed. Classical as well as tunneling electron emission mechanisms are considered. It was found that electron emission is governed by an interplay of processes inside as well as above the cathode. A hybrid model is proposed, where the electron distribution within the target is retrieved from Boltzmann scattering integrals, while the charge distribution above it is studied by a Particle-In-Cell simulation. The results indicate that non-equilibrium effects determine the initial emission process, whereas the space charge above the target suppresses the effectively emitted charge. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000327696300020 |
Publication Date |
2013-11-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2013 IF: 3.515 |
Call Number |
UA @ lucian @ c:irua:111815 |
Serial |
2147 |
Permanent link to this record |
|
|
|
Author |
Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. |
Title |
Modified atomic scattering amplitudes and size effects on the 002 and 220 electron structure factors of multiple Ga1-xInxAs/GaAs quantum wells |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
105 |
Issue |
8 |
Pages |
084310,1-084310,8 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The modified atomic scattering amplitudes (MASAs) of mixed Ga<sub>1-x</sub>In<sub>x</sub>As, GaAs<sub>1-x</sub>N<sub>x</sub>, and InAs<sub>1-x</sub>N<sub>x</sub> are calculated using the density functional theory approach and the results are compared with those of the binary counterparts. The MASAs of N, Ga, As, and In for various scattering vectors in various chemical environments and in the zinc-blende structure are compared with the frequently used Doyle and Turner values. Deviation from the Doyle and Turner results is found for small scattering vectors (s<0.3 Å<sup>-1</sup>) and for these scattering vectors the MASAs are found to be sensitive to the orientation of the scattering vector and on the chemical environment. The chemical environment sensitive MASAs are used within zero pressure classical Metropolis Monte Carlo, finite temperature calculations to investigate the effect of well size on the electron 002 and 220 structure factors (SFs). The implications of the use of the 002 (200) spot for the quantification of nanostructured Ga<sub>1-x</sub>In<sub>x</sub>As systems are examined while the 220 SF across the well is evaluated and is found to be very sensitive to the in-plane static displacements. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000268064700149 |
Publication Date |
2009-04-23 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
2.068 |
Times cited |
|
Open Access |
|
Notes |
Fwo G.0425.05; Esteem 026019 |
Approved |
Most recent IF: 2.068; 2009 IF: 2.072 |
Call Number |
UA @ lucian @ c:irua:78282 |
Serial |
2160 |
Permanent link to this record |
|
|
|
Author |
Gou, F.; Neyts, E.; Eckert, M.; Tinck, S.; Bogaerts, A. |
Title |
Molecular dynamics simulations of Cl+ etching on a Si(100) surface |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
107 |
Issue |
11 |
Pages |
113305,1-113305,6 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Molecular dynamics simulations using improved TersoffBrenner potential parameters were performed to investigate Cl+ etching of a {2×1} reconstructed Si(100) surface. Steady-state Si etching accompanying the Cl coverage of the surface is observed. Furthermore, a steady-state chlorinated reaction layer is formed. The thickness of this reaction layer is found to increase with increasing energy. The stoichiometry of SiClx species in the reaction layer is found to be SiCl:SiCl2:SiCl3 = 1.0:0.14:0.008 at 50 eV. These results are in excellent agreement with available experimental data. While elemental Si products are created by physical sputtering, most SiClx (0<x<4) etch products are produced by chemical-enhanced physical sputtering. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000278907100018 |
Publication Date |
2010-06-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2010 IF: 2.079 |
Call Number |
UA @ lucian @ c:irua:82663 |
Serial |
2175 |
Permanent link to this record |
|
|
|
Author |
Nikolaev, A.V.; Verberck, B.; Ionova, G.V. |
Title |
Molecular interaction energies and optimal configuration of a cubane dimer |
Type |
A1 Journal article |
Year |
2010 |
Publication |
International journal of quantum chemistry |
Abbreviated Journal |
Int J Quantum Chem |
Volume |
110 |
Issue |
5 |
Pages |
1063-1069 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We have studied the dependence of the binding energy of a cubane dimer on the mutual orientation of and the distance between the composing monomers employing the second-order Møller-Plesset perturbation scheme (MP2) with the cc-pVDZ molecular basis set. We have found that the MP2 contribution from the molecular correlations is responsible for the bound state of the cubane dimer, whereas the Hartree-Fock contribution remains anti-bonding at all intermolecular distances. Starting with two molecules in the standard orientation and centers of mass at (0,0,0) and (0,0,d), respectively, the maximal binding energy is found at d = 5.125 Å and one of the monomers rotated by 45° about the z-axis. This configuration implies that the hydrogen atoms belonging to different monomers tend to repel each other. The results are in agreement with experimental data on the optimal packing of cubane molecules in the solid state. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000274720000011 |
Publication Date |
2009-04-10 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0020-7608;1097-461X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.92 |
Times cited |
1 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 2.92; 2010 IF: 1.302 |
Call Number |
UA @ lucian @ c:irua:81944 |
Serial |
2179 |
Permanent link to this record |
|
|
|
Author |
Michel, K.H. |
Title |
Molecular structure and orientational ordering in solid C60 |
Type |
A1 Journal article |
Year |
1992 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
97 |
Issue |
7 |
Pages |
5155-5162 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A microscopic theory, which describes the orientational dynamics of C60 molecules in the face-centered cubic phase of C60-fullerite, is formulated or the case of a complex molecular structure. Interaction centers which comprise atoms, double bonds, and single bonds as molecular constituents contribute to the intermolecular potential. Orientation dependent physical properties are described in terms of symmetry-adapted rotator functions. It is found that a same set of rotator functions is sufficient even in the case of a complex molecular structure. Phase transition temperatures are discussed for various models of molecular structure. |
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
A1992JR33800062 |
Publication Date |
2002-07-26 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-9606; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.952 |
Times cited |
20 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:2973 |
Serial |
2185 |
Permanent link to this record |
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|
|
Author |
Partoens, B.; Peeters, F.M. |
Title |
Molecule-type phases and Hund's rule in vertically coupled quantum dots |
Type |
A1 Journal article |
Year |
2000 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
84 |
Issue |
|
Pages |
4433-4436 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
|
Place of Publication ![sorted by Place of Publication field, descending order (down)](img/sort_desc.gif) |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000086941600045 |
Publication Date |
2002-07-27 |
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 |
99 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 8.462; 2000 IF: 6.462 |
Call Number |
UA @ lucian @ c:irua:28519 |
Serial |
2188 |
Permanent link to this record |