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Author Wen, X.; Peeters, F.M.; Devreese, J.T. url  doi
openurl 
  Title Streaming-to-accumulation transition in a two-dimensional electron system in a polar semiconductor Type A1 Journal article
  Year 1992 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 46 Issue Pages 7571-7580  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1992JQ37800028 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.736 Times cited 13 Open Access  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:2913 Serial 3175  
Permanent link to this record
 

 
Author Leao, S.A.; Hipolito, O.; Peeters, F.M. doi  openurl
  Title Inter and intrasubband transitions via lo phonons in quantum wires Type A1 Journal article
  Year 1993 Publication Superlattices and microstructures Abbreviated Journal Superlattice Microst  
  Volume 13 Issue 1 Pages 37-40  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the effects of the finite confining potential V0 on the absorption and emission scattering rates of electrons interacting with LO phonons for a cylindrical GaAs quantum wire. The emission rates are qualitatively similar to those of the 2D case. The absorption rates on the other hand exhibit two different regimes: 1) for a wire radius smaller than a certain value (80 Å in the case where V0 = 190 meV) the behavior is similar to the 2D and 3D analogues, but 2) for larger radius the absorption rates initially increase with increasing energy, reach a maximum value and then decrease monotonicaly. A complete study is made as a function of wire radius, and electron energy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1993KK13700007 Publication Date 2002-10-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0749-6036; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.097 Times cited 8 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:103011 Serial 1680  
Permanent link to this record
 

 
Author Xu, W.; Peeters, F.M.; Devreese, J.T. url  doi
openurl 
  Title Normal and hot electro-phonon resonance effect in a quasi-two-dimensional semiconductor system Type A1 Journal article
  Year 1993 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 5 Issue 15 Pages 2307-2320  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract The electro-phonon resonance effect is a consequence of a resonant interaction between two electric subbands mediated by an optical phonon. It occurs in a quasi-two-dimensional electron system each time the energy difference between two electric subbands equals the energy of a Lo phonon. We study the influence of this effect on the electron mobility by using the momentum balance equation. The temperature and electron density dependences of the resonances are studied in the linear and non-linear response regimes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1993KX70100004 Publication Date 2002-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.346 Times cited 18 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:102984 Serial 2367  
Permanent link to this record
 

 
Author Buschmann, V.; Rodewald, M.; Fuess, H.; Van Tendeloo, G.; Schaffer, C. pdf  doi
openurl 
  Title Hetero-epitaxial growth of CoSi2 thin films on Si(100) : template effects and epitaxial orientations Type A1 Journal article
  Year 1998 Publication Journal of crystal growth Abbreviated Journal J Cryst Growth  
  Volume 191 Issue 3 Pages 430-438  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract This HREM investigation focuses on the influence of point defects on the final epitaxial relation and atomic interface configuration in a CoSi2/Si(1 0 0) heterostructure. A two-step SPE-MBE grown CoSi2/Si(1 0 0) system is used and, by altering the number of deposited Co monolayers in the template layer, the point defect behavior is studied. We propose a film growth model in which the knowledge about the reconstructed (2 x 1) : Si(1 0 0) surface, the point defect behavior in the presence of an interface, especially a silicide interface, the migration of point defects through a lattice by formation of [1 0 0]-split interstitial (dumbbell) atomic configurations, and a new type of extended defect configurations in diamond type materials will all amalgamate. (C) 1998 Published by Elsevier Science B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000075032500017 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-0248; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.751 Times cited 6 Open Access  
  Notes Approved Most recent IF: 1.751; 1998 IF: 1.307  
  Call Number UA @ lucian @ c:irua:102930 Serial 1418  
Permanent link to this record
 

 
Author Verbist, K.; Lebedev, O.I.; Van Tendeloo, G.; Tafuri, F.; Granozio, F.M.; Di Chiara, A.; Bender, H. pdf  doi
openurl 
  Title A potential method to correlate electrical properties and microstructure of a unique high-Tc superconducting Josephson junction Type A1 Journal article
  Year 1999 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 74 Issue 7 Pages 1024-1026  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A method to correlate microstructure from cross-section transmission electron microscopy (TEM) investigations and transport properties of a single well characterized high-T-c artificial grain boundary junction is reported. A YBa2Cu3O7-delta 45 degrees twist junction exhibiting the typical phenomenology of high T-c Josephson weak links was employed. The TEM sample preparation is based on focused ion beam etching and allows to easily localize the electron transparent area on a microbridge. The reported technique opens clear perspectives in the determination of the microstructural origin of variations in Josephson junction properties, such as the spread in I-c and IcRN values and the presence of different transport regimes in nominally identical junctions. (C) 1999 American Institute of Physics. [S0003-6951(99)03404-X].  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000078571400043 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; ISBN Additional Links (down) 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; 1999 IF: 4.184  
  Call Number UA @ lucian @ c:irua:102912 Serial 2686  
Permanent link to this record
 

 
Author Stefan, M.; Nistor, S.V.; Mateescu, D.C.; Abakumov, A.M. pdf  doi
openurl 
  Title Growth of pure and doped Rb2ZnCl4and K2ZnCl4 single crystals by Czochralski technique Type A1 Journal article
  Year 1999 Publication Journal of crystal growth Abbreviated Journal J Cryst Growth  
  Volume 200 Issue 1-2 Pages 148-154  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract High-quality single crystals of Rb2ZnCl4 and K2ZnCl4, pure or doped with Cu, Mn, Cd, Tl, Sn, Pb and In cations, were grown by Czochralski technique in argon atmosphere, using an experimental setup that allows direct visual access to the whole growth zone. Slowly cooled crystals exhibit excellent cleavage properties. Fastly cooled crystals do cleave poorly. As shown by X-ray diffraction studies, such K2ZnCl4 samples exhibit inclusions of the high-temperature Pmcn phase with lattice parameters a = 7.263(2) Angstrom, b = 12.562(2) Angstrom and c = 8.960(4) Angstrom in the P2(1) cn room temperature stable phase. ESR and optical spectroscopy studies revealed the localization and valence state of the cation dopants. (C) 1999 Elsevier Science B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000079840600021 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-0248; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.751 Times cited 13 Open Access  
  Notes Approved Most recent IF: 1.751; 1999 IF: 1.492  
  Call Number UA @ lucian @ c:irua:102909 Serial 1395  
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Author Tafuri, F.; Carillo, F.; Lombardi, F.; Granozio, F.M.; dii Uccio, U.S.; Testa, G.; Sarnelli, E.; Verbist, K.; Van Tendeloo, G. pdf  doi
openurl 
  Title YBa2Cu3O7-x Josephson junctions and dc SQUIDs based on 45\text{\textdegree} a-axis tilt and twist grain boundaries : atomically clean interfaces for applications Type A1 Journal article
  Year 1999 Publication Superconductor science and technology T2 – International Superconductive Electronics Conference, JUN 21-25, 1999, BERKELEY, CALIFORNIA Abbreviated Journal Supercond Sci Tech  
  Volume 12 Issue 11 Pages 1007-1009  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract YBa2Cu3O7-x artificial grain boundary Josephson junctions have been fabricated, employing a recently implemented biepitaxial technique. The grain boundaries can be obtained by controlling the orientation of the MgO seed layer and are characterized by a misalignment of the c-axes (45 degrees a-axis tilt or 45 degrees a-axis twist). These types of grain boundaries are still mostly unexplored. We carried out a complete characterization of their transport properties and microstructure. Junctions and de SQUIDs associated with these grain boundaries exhibit an excellent Josephson phenomenology and high values of the ICRN product and of the magnetic flux-to-voltage transfer parameter respectively. Remarkable differences in the transport parameters of tilt and twist junctions have been observed, which can be of interest for several applications. A maximum speed of Josephson vortices as calculated from the voltage step values of the order of 2 x 10(6) m s(-1) is obtained. These devices could also have some impact on experiments designed to study the symmetry of the order parameter, exploiting their microstructure and anisotropic properties. High-resolution electron microscopy showed the presence of perfect basal plane faced boundaries in the cross sections of tilt boundaries.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000083948400093 Publication Date 2002-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-2048;1361-6668; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.878 Times cited 3 Open Access  
  Notes Approved Most recent IF: 2.878; 1999 IF: 1.728  
  Call Number UA @ lucian @ c:irua:102896 Serial 3565  
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Author Karczewski, G.; Wojtowicz, T.; Wang, Y.-J.; Wu, X.; Peeters, F.M. pdf  doi
openurl 
  Title Electron effective mass and resonant polaron effect in CdTe/CdMgTe quantum wells Type A1 Journal article
  Year 2002 Publication Physica status solidi: B: basic research T2 – 10th International Conference on II-VI Compounds, SEP 09-14, 2001, BREMEN, GERMANY Abbreviated Journal Phys Status Solidi B  
  Volume 229 Issue 1 Pages 597-600  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Cyclotron resonance in CdTe/CdMgTe quantum wells (QWs) was studied. Due to the polaron effect the zero-field effective mass is strongly influenced by the QW width. The experimental data have been described theoretically by taking into account electron-phonon coupling and the nonparabolicity of the conduction band. The subband structure was calculated self-consistently. The best fit was obtained for an electron-phonon coupling constant alpha = 0.3 and bare electron mass of m(b) = 0.092m(0).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos 000173806600118 Publication Date 2002-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0370-1972;1521-3951; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.674 Times cited 10 Open Access  
  Notes Approved Most recent IF: 1.674; 2002 IF: 0.930  
  Call Number UA @ lucian @ c:irua:102838 Serial 925  
Permanent link to this record
 

 
Author Baelus, B.J.; Peeters, F.M. pdf  doi
openurl 
  Title Dependence of the vortex configuration on the geometry of mesoscopic flat samples Type A1 Journal article
  Year 2002 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 65 Issue 10 Pages 104515-12  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The influence of the geometry of a thin superconducting sample on the penetration of the magnetic field lines and the arrangement of vortices are investigated theoretically. We compare the vortex state of superconducting disks, squares, and triangles with the same surface area having nonzero thickness. The coupled nonlinear Ginzburg-Landau equations are solved self-consistently and the important demagnetization effects are taken into account. We calculate and compare quantities such as the free energy, the magnetization, the Cooper-pair density, the magnetic field distribution, and the superconducting current density for the three geometries. For given vorticity the vortex lattice is different for the three geometries, i.e., it tries to adapt to the geometry of the sample. This also influences the stability range of the different vortex states. For certain magnetic field ranges we found a coexistence of a giant vortex placed in the center and single vortices towards the corners of the sample. The H-T phase diagram is obtained for the three investigated geometries and we found that the critical magnetic field is substantially enhanced for the triangle geometry.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000174548300111 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 189 Open Access  
  Notes Approved Most recent IF: 3.836; 2002 IF: NA  
  Call Number UA @ lucian @ c:irua:102833 Serial 645  
Permanent link to this record
 

 
Author Cornelissens, Y.G.; Peeters, F.M. doi  openurl
  Title Response function of a Hall magnetosensor in the diffusive regime Type A1 Journal article
  Year 2002 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 92 Issue 4 Pages 2006-2012  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Two-dimensional electron gas systems patterned into micrometer Hall bars can be used as Hall magnetosensors. In this way, ballistic Hall probes have already been studied and used successfully. Here, the response function of a Hall sensor is determined in the diffusive regime, which allows this device to be used as a magnetosensor for the determination of inhomogeneous magnetic field distributions. Furthermore, the influence of the geometry of the Hall bar on this response function, such as circular corners and asymmetry in the probes, is also investigated and appears to be non-negligible. (C) 2002 American Institute of Physics.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000177171700046 Publication Date 2002-09-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 24 Open Access  
  Notes Approved Most recent IF: 2.068; 2002 IF: 2.281  
  Call Number UA @ lucian @ c:irua:102826 Serial 2897  
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Author Mukhopadhyay, S.; Peeters, F.M. pdf  doi
openurl 
  Title The pinning effect in a parabolic quantum dot Type A1 Journal article
  Year 2002 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 14 Issue 34 Pages 8005-8010  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using improved Wigner-Brillouin perturbation theory we study resonant electron-phonon interaction in a semiconductor quantum dot. We predict pinning of the excited energy levels to the ground state level plus one optical phonon as a function of the strength of the confinement potential. This effect should be observable through optical spectroscopic measurements.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000178051800022 Publication Date 2002-09-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 4 Open Access  
  Notes Approved Most recent IF: 2.649; 2002 IF: 1.775  
  Call Number UA @ lucian @ c:irua:102824 Serial 3591  
Permanent link to this record
 

 
Author Vodolazov, D.Y.; Peeters, F.M.; Dubonos, S.V.; Geim, A.K. url  doi
openurl 
  Title Multiple flux jumps and irreversible behavior of thin Al superconducting rings Type A1 Journal article
  Year 2003 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 67 Issue 5 Pages 054506-6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract An experimental and theoretical investigation was made of flux jumps and irreversible magnetization curves of mesoscopic Al superconducting rings. In the small magnetic-field region the change of vorticity with magnetic field can be larger than unity. This behavior is connected with the existence of several metastable states of different vorticities. The intentional introduction of a defect in the ring has a large effect on the size of the flux jumps. Calculations based on the time-dependent Ginzburg-Landau model allows us to explain the experimental results semiquantitatively.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000181360300061 Publication Date 2003-02-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 49 Open Access  
  Notes Approved Most recent IF: 3.836; 2003 IF: NA  
  Call Number UA @ lucian @ c:irua:102812 Serial 2227  
Permanent link to this record
 

 
Author Piacente, G.; Schweigert, I.V.; Betouras, J.J.; Peeters, F.M. pdf  doi
openurl 
  Title Structural properties and melting of a quasi-one dimensional classical Wigner crystal Type A1 Journal article
  Year 2003 Publication Solid state communications Abbreviated Journal Solid State Commun  
  Volume 128 Issue 2-3 Pages 57-61  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The structural and melting properties of a quasi-one dimensional system of charged particles, interacting through a screened Coulomb potential are investigated. Depending on the density and the screening length, the system crystallizes in different lattice structures. The structural phase transitions between them are of first or second order. The melting of the system is studied through Monte Carlo simulations and reentrant behavior as a function of density is observed as well as evidence of anisotropic melting. (C) 2003 Published by Elsevier Ltd.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000185533100004 Publication Date 2003-08-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0038-1098; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.554 Times cited 9 Open Access  
  Notes Approved Most recent IF: 1.554; 2003 IF: 1.602  
  Call Number UA @ lucian @ c:irua:102790 Serial 3253  
Permanent link to this record
 

 
Author Anisimovas, E.; Peeters, F.M. pdf  doi
openurl 
  Title Negative trions in coupled quantum dots Type A1 Journal article
  Year 2004 Publication Physica. E: Low-dimensional systems and nanostructures T2 – 15th International Conference on Electronic Properties of, Two-Dimensional Systems (EP2DS-15), JUL 14-18, 2003, Nara, JAPAN Abbreviated Journal Physica E  
  Volume 22 Issue 1-3 Pages 566-569  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We present an exact diagonalization study of negatively charged excitonic trions in two vertically coupled parabolic quantum dots. The electrons and the hole are confined to different dots. We obtain the energy spectra as a function of inter-dot separation and external magnetic field strength and identify different ground-state angular momentum transitions which are accompanied by abrupt charge redistributions in the dots. (C) 2003 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher North-Holland Place of Publication Amsterdam Editor  
  Language Wos 000221140800137 Publication Date 2004-02-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1386-9477; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.221 Times cited 1 Open Access  
  Notes Approved Most recent IF: 2.221; 2004 IF: 0.898  
  Call Number UA @ lucian @ c:irua:102771 Serial 2292  
Permanent link to this record
 

 
Author Paul, J.S.; Groothaert, M.H.; Kirschhock, C.E.A.; Lebedev, O.I.; Jacobs, P.A.; Maier, W.F. pdf  doi
openurl 
  Title Novel MoVSbOx-type catalysts for selective isobutane oxidation Type A1 Journal article
  Year 2004 Publication Catalysis today T2 – 7th European Workshop Meeting on Selective Oxidation, AUG 31-SEP 04, 2003, Innsbruck, AUSTRIA Abbreviated Journal Catal Today  
  Volume 91-2 Issue Pages 265-269  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A new sol-gel synthesis procedure is proposed for the preparation of MoVSbOx catalysts for the selective oxidation of isobutane. Physico-chemical characterization of the materials calcined at 400 degreesC, showed essentially amorphous catalysts, with long-range order. Increase of calcination temperature, however, resulted in the formation of small crystalline regions, confirmed through TEM. EPR measurements on the calcined samples pointed to the presence of isolated and magnetically interacting V(IV) species. The reported catalysts proved to be much more selective for partial oxidation compared to a literature reference catalyst. Furthermore, it is shown that this versatile synthesis recipe forms an excellent start for high-throughput and combinatorial studies. (C) 2004 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000222691000049 Publication Date 2004-05-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0920-5861; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.636 Times cited 12 Open Access  
  Notes Approved Most recent IF: 4.636; 2004 IF: 3.108  
  Call Number UA @ lucian @ c:irua:102761 Serial 2383  
Permanent link to this record
 

 
Author Baelus, B.J.; Peeters, F.M. doi  openurl
  Title The effect of surface defects on the vortex expulsion and penetration in mesoscopic superconducting disks Type A1 Journal article
  Year 2004 Publication Physica: C : superconductivity T2 – 7th International Conference on Materials and Mechanisms of, Superconductive and High Temperature Superconductors, MAY 25-30, 2003, Rio de Janeiro, BRAZIL Abbreviated Journal Physica C  
  Volume 408 Issue Pages 543-544  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Within the framework of the nonlinear Ginzburg-Landau theory we investigate how the vortex expulsion and penetration fields are influenced by the presence of surface defects in superconducting disks with zero thickness. We studied different types and sizes of defects. (C) 2004 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000224051700228 Publication Date 2004-08-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4534; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.404 Times cited 1 Open Access  
  Notes Approved Most recent IF: 1.404; 2004 IF: 1.072  
  Call Number UA @ lucian @ c:irua:102759 Serial 3576  
Permanent link to this record
 

 
Author Tavernier, M.B.; Anisimovas, E.; Peeters, F.M. doi  openurl
  Title Electron-vortex interaction in a quantum dot Type A1 Journal article
  Year 2004 Publication International journal of modern physics: B: condensed matter physics, statistical physics, applied physics T2 – 16th International Conference on High Magnetic Fields in Semiconductor, Physics, AUG 02-06, 2004, Florida State Univ, NHMFL, Tallahassee, FL Abbreviated Journal Int J Mod Phys B  
  Volume 18 Issue 27-29 Pages 3633-3636  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Small numbers N < 5 of two-dimensional Coulomb-interacting electrons trapped in a parabolic potential placed in a perpendicular magnetic field are investigated. The reduced wave function of this system, which is obtained by fixing the positions of N-1 electrons, exhibits strong correlations between the electrons and the zeros. These zeros axe often called vortices. An exact-diagonalization scheme is used to obtain the wave functions and the results are compared with results obtained from the recently proposed rotating electron molecule (REM) theory. We find that the vortices gather around the fixed electrons and repel each other, which is to a much lesser extend so for the REM results.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Singapore Editor  
  Language Wos 000227140200035 Publication Date 2005-04-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0217-9792;1793-6578; ISBN Additional Links (down) UA library record; WoS full record  
  Impact Factor 0.736 Times cited Open Access  
  Notes Approved Most recent IF: 0.736; 2004 IF: 0.361  
  Call Number UA @ lucian @ c:irua:102749 Serial 992  
Permanent link to this record
 

 
Author Papp, G.; Borza, S.; Peeters, F.M. doi  openurl
  Title Spin transport in a Mn-doped ZnSe asymmetric tunnel structure Type A1 Journal article
  Year 2005 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 97 Issue 11 Pages 113901-113905  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Spin-dependent tunneling of electrons in a diluted magnetic semiconductor ZnSe/Zn1-xMnxSe/Zn1-yMnySe/ZnSe/Zn1-xMnxSe/ZnSe heterostructure is investigated theoretically in the presence of parallel magnetic and electric fields, but our modeling is appropriate for any dilute magnetic II-VI semiconductor system. In the studied asymmetric system the transmission of electrons and the degree of spin polarization depend on the strength of the magnetic and electric fields and on the direction of the applied bias. For suitable magnetic fields, the output current of the system exhibits a nearly 100% spin polarization and the device can be used as a spin filter. (C) 2005 American Institute of Physics.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000229804700072 Publication Date 2005-05-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 26 Open Access  
  Notes Approved Most recent IF: 2.068; 2005 IF: 2.498  
  Call Number UA @ lucian @ c:irua:102728 Serial 3102  
Permanent link to this record
 

 
Author van Dyck, D.; Croitoru, M.D. pdf  url
doi  openurl
  Title Statistical method for thickness measurement of amorphous objects Type A1 Journal article
  Year 2007 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 90 Issue 24 Pages 241911-241913  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT); Vision lab  
  Abstract The authors propose a nondestructive method for the determination of the thickness of an amorphous sample. This method is based on the statistics of the phase of the electron exit wave function, which depend on the number of atoms traversed by the incident electron which itself is a function of the thickness of the object. The accuracy of this method has been checked numerically by the multislice method and compared with that based on the mean inner potential. (c) 2007 American Institute of Physics.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000247305400033 Publication Date 2007-06-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 4 Open Access  
  Notes Fwo Approved Most recent IF: 3.411; 2007 IF: 3.596  
  Call Number UA @ lucian @ c:irua:102671 Serial 3158  
Permanent link to this record
 

 
Author Ruelle, B.; Felten, A.; Ghijsen, J.; Drube, W.; Johnson, R.L.; Liang, D.; Erni, R.; Van Tendeloo, G.; Dubois, P.; Hecq, M.; Bittencourt, C.; pdf  doi
openurl 
  Title Functionalization of MWCNTs with atomic nitrogen : electronic structure Type A1 Journal article
  Year 2008 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 41 Issue 4 Pages 045202-45204  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The changes induced by exposing multi-walled carbon nanotubes (CNTs) to atomic nitrogen were analysed by high-resolution transmission electron microscopy (HRTEM), x-ray and ultraviolet photoelectron spectroscopy. It was found that the atomic nitrogen generated by a microwave plasma effectively grafts chemical groups onto the CNT surface altering the density of valence electronic states. HRTEM showed that the exposure to atomic nitrogen does not significantly damage the CNT surface.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000253177900018 Publication Date 2008-01-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 16 Open Access  
  Notes Approved Most recent IF: 2.588; 2008 IF: 2.104  
  Call Number UA @ lucian @ c:irua:102633 Serial 1306  
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Author Godefroo, S.; Hayne, M.; Jivanescu, M.; Stesmans, A.; Zacharias, M.; Lebedev, O.I.; Van Tendeloo, G.; Moshchalkov, V.V. pdf  doi
openurl 
  Title Classification and control of the origin of photoluminescence from Si nanocrystals Type A1 Journal article
  Year 2008 Publication Nature nanotechnology Abbreviated Journal Nat Nanotechnol  
  Volume 3 Issue 3 Pages 174-178  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Silicon dominates the electronics industry, but its poor optical properties mean that III-V compound semiconductors are preferred for photonics applications. Photoluminescence at visible wavelengths was observed from porous Si at room temperature in 1990, but the origin of these photons (do they arise from highly localized defect states or quantum confinement effects?) has been the subject of intense debate ever since. Attention has subsequently shifted from porous Si to Si nanocrystals, but the same fundamental question about the origin of the photoluminescence has remained. Here we show, based on measurements in high magnetic fields, that defects are the dominant source of light from Si nanocrystals. Moreover, we show that it is possible to control the origin of the photoluminescence in a single sample: passivation with hydrogen removes the defects, resulting in photoluminescence from quantum-confined states, but subsequent ultraviolet illumination reintroduces the defects, making them the origin of the light again.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000254743600017 Publication Date 2008-03-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1748-3387;1748-3395; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 38.986 Times cited 426 Open Access  
  Notes Fwo Approved Most recent IF: 38.986; 2008 IF: 20.571  
  Call Number UA @ lucian @ c:irua:102630 Serial 373  
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Author Arakcheeva, A.; Pattison, P.; Chapuis, G.; Rossell, M.; Filaretov, A.; Morozov, V.; Van Tendeloo, G. pdf  doi
openurl 
  Title KSm(MoO4)2, an incommensurately modulated and partially disordered scheelite-like structure Type A1 Journal article
  Year 2008 Publication Acta crystallographica: section B: structural science Abbreviated Journal Acta Crystallogr B  
  Volume 64 Issue Part 2 Pages 160-171  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  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).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Copenhagen Editor  
  Language Wos 000253992600004 Publication Date 2008-03-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0108-7681; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 23 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:102618 Serial 3539  
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Author Kabsch-Korbutowicz, M.; Krupinska, B. openurl 
  Title Removal of natural organic matter from water by using ion-exchange resins Type A1 Journal article
  Year 2008 Publication Przemysl chemiczny T2 – Scientific and Technical Conference on Water and Wastewater Basis for, Environmental Protection (School of Quality Water 2008), MAY 28-30, 2008, Kolobrzeg, POLAND Abbreviated Journal  
  Volume 87 Issue 5 Pages 473-475  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Four aq. solns. contg. natural peat components and the water from Odra river were treated with 3 anion-exchange resins (2.5 to 15 cm(3) of resin per 1 dm(3) of the sample) for 5-60 min to remove the org. matter. The process efficiency was detd. by UV absorbance (254 nm) and colour intensity measurements. The treatment resulted in discoloration of the solns. A resin with weak alky, was the most efficient. The degree of removal increased with increasing the resin dose and contact time. The presence of inorg. anions in the soins. contributed to a decrease of process effectivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000257179000020 Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0033-2496 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:102617 Serial 8471  
Permanent link to this record
 

 
Author Földi, P.; Kálmán, O.; Benedict, M.G.; Peeters, F.M. doi  openurl
  Title Networks of quantum nanorings : programmable spintronic devices Type A1 Journal article
  Year 2008 Publication Nano letters Abbreviated Journal Nano Lett  
  Volume 8 Issue 8 Pages 2556-2558  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract An array of quantum rings with local (ring by ring) modulation of the spin orbit interaction (SOI) can lead to novel effects in spin state transformation of electrons. It is shown that already small (3 x 3, 5 x 5) networks are remarkably versatile from this point of view: Working in a given network geometry, the input current can be directed to any of the output ports, simply by changing the SOI strengths by external gate voltages. Additionally, the same network with different SOI strengths can be completely analogous to the Stern-Gerlach device, exhibiting spatial-spin entanglement.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language Wos 000258440700077 Publication Date 2008-07-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984;1530-6992; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 76 Open Access  
  Notes Approved Most recent IF: 12.712; 2008 IF: 10.371  
  Call Number UA @ lucian @ c:irua:102609 Serial 2294  
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Author Zhao, H.J.; Misko, V.R.; Peeters, F.M.; Oboznov, V.; Dubonos, S.V.; Grigorieva, I.V. url  doi
openurl 
  Title Vortex states in mesoscopic superconducting squares: formation of vortex shells Type A1 Journal article
  Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 78 Issue 10 Pages 104517  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We analyze theoretically and experimentally vortex configurations in mesoscopic superconducting squares. Our theoretical approach is based on the analytical solution of the London equation using Green's-function method. The potential-energy landscape found for each vortex configuration is then used in Langevin-type molecular-dynamics simulations to obtain stable vortex configurations. Metastable states and transitions between them and the ground state are analyzed. We present our results of the first direct visualization of vortex patterns in micrometer-sized Nb squares, using the Bitter decoration technique. We show that the filling rules for vortices in squares with increasing applied magnetic field can be formulated, although in a different manner than in disks, in terms of formation of vortex “shells”.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000259690400093 Publication Date 2008-09-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 39 Open Access  
  Notes Approved Most recent IF: 3.836; 2008 IF: 3.322  
  Call Number UA @ lucian @ c:irua:102608 Serial 3890  
Permanent link to this record
 

 
Author Saniz, R.; Norman, M.R.; Freeman, A.J. url  doi
openurl 
  Title Orbital mixing and nesting in the bilayer manganites La2-2xSr1+2xMn2O7 Type A1 Journal article
  Year 2008 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 101 Issue 23 Pages 236402-236404  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A first principles study of La(2-2x)Sr(1+2x)Mn(2)O(7) compounds for doping levels 0.3 <= x <= 0.5 shows that the low energy electronic structure of the majority spin carriers is determined by strong momentum-dependent interactions between the Mn e(g) d(x)(2)-y(2) and d(3z)(2)-r(2) orbitals, which, in addition to an x-dependent Jahn-Teller distortion, differ in the ferromagnetic and antiferromagnetic phases. The Fermi surface exhibits nesting behavior that is reflected by peaks in the static susceptibility, whose positions as a function of momentum have a nontrivial dependence on x.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000261431200045 Publication Date 2008-12-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links (down) 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; 2008 IF: 7.180  
  Call Number UA @ lucian @ c:irua:102602 Serial 2498  
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Author Tilleman, L.; De Henau, S.; Pauwels, M.; Nagy, N.; Pintelon, I.; Braeckman, B.P.; De Wael, K.; Van Doorslaer, S.; Adriaensen, D.; Timmermans, J.-P.; Moens, L.; Dewilde, S. url  doi
openurl 
  Title An N-myristoylated globin with a redox-sensing function that regulates the defecation cycle in Caenorhabditis elegans Type A1 Journal article
  Year 2012 Publication PLoS ONE Abbreviated Journal Plos One  
  Volume 7 Issue 12 Pages e48768-9  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Globins occur in all kingdoms of life where they fulfill a wide variety of functions. In the past they used to be primarily characterized as oxygen transport/storage proteins, but since the discovery of new members of the globin family like neuroglobin and cytoglobin, more diverse and complex functions have been assigned to this heterogeneous family. Here we propose a function for a membrane-bound globin of C. elegans, GLB-26. This globin was predicted to be myristoylated at its N-terminus, a post-translational modification only recently described in the globin family. In vivo, this globin is found in the membrane of the head mesodermal cell and in the tail stomato-intestinal and anal depressor muscle cells. Since GLB-26 is almost directly oxidized when exposed to oxygen, we postulate a possible function as electron transfer protein. Phenotypical studies show that GLB-26 takes part in regulating the length of the defecation cycle in C. elegans under oxidative stress conditions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000313236200008 Publication Date 2012-12-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-6203 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.806 Times cited 6 Open Access  
  Notes ; SDH is a Ph.D. fellow of the Fund for Scientific Research (FWO). Financial support to SD and LM was provided by the University of Antwerp (BOF UA TOP 2006) and to SD, LM, BPB, by FWO project G.0247.09. The UltraVIEW VoX spinning disk confocal microscope was purchased with support of the Hercules Foundation (Hercules Type 1: AUHA 09/001). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. ; Approved Most recent IF: 2.806; 2012 IF: 3.730  
  Call Number UA @ admin @ c:irua:102591 Serial 5741  
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Author Cataldo,.; Evangelista, H.; Simões, J.C.; Godoi, R.H.M.; Simmonds, I.; Hollanda, M.H.; Wainer, I.; Aquino, F.E.; Van Grieken, R. url  doi
openurl 
  Title Mineral dust variability in central West Antarctica associated with ozone depletion Type A1 Journal article
  Year 2012 Publication Atmospheric chemistry and physics discussions Abbreviated Journal  
  Volume 12 Issue 5 Pages 12685-12714  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Here we show that mineral dust retrieved from an ice core in the central West Antarctic sector, spanning the last five decades, provides evidence that northerly air mass incursions into Antarctica, tracked by dust microparticles, have slightly declined. This result contrasts with dust in ice core records reported in West/coastal Antarctica, which show significant increases to the present day. We attribute that difference, in part, to changes in the regional climate regime triggered by the ozone depletion and its consequences for the polar vortex intensity. The vortex maintains the Antarctic central region relatively isolated from mid-latitude air mass incursions with implications to the intensification of the Westerlies and to a persistent positive phase of the Southern Annular Mode. We also show that variability of the diameter of insoluble microparticles in central West Antarctica can be modeled by linear/quadratic functions of both cyclone depth (energy) and wind intensity around Antarctica.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2012-05-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1680-7367 ISBN Additional Links (down) UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:102568 Serial 8251  
Permanent link to this record
 

 
Author Gatto Rotondo, G.; Darchuk, L.; Swaenen, M.; Van Grieken, R. url  doi
openurl 
  Title Micro-Raman and SEM analysis of minerals from the Darhib mine, Egypt Type A1 Journal article
  Year 2012 Publication Journal of analytical sciences, methods and instrumentation Abbreviated Journal  
  Volume 2 Issue 1 Pages 42-47  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The Darhib mine is one of the several talc deposits in the Hamata area of southeastern Egypt. Several specimens of minerals coming from this mine were subjected to complementary investigation by micro-Raman spectrometry and scanning electron microscopy. The difficulty in their identification is the appearance of most of them: they are all very small and only visible under the mineral binocular microscope(×10 – ×40). They appear as small crystals in fissures and holes and a visual determination on colour and crystal gives only a guess of what kind of mineral it could be. Therefore, only after analyzing them by micro-Raman and scanning electron microscopy it was possible to identify their structure and they can be divided in three main groups: one is quite generic and several minerals of different species were identified, such as quartz, talc, mottramite and chrysocolla, very common in the talc mine (these ones are Si-based minerals); the other one is constituted by four samples which are Zn and/or Cu rich, which means minerals of the rosasite or aurichalcite groups; the last group is constituted by two samples containing mainly Pb..  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2012-03-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2164-2745; 2164-2753 ISBN Additional Links (down) UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:102567 Serial 8232  
Permanent link to this record
 

 
Author Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. pdf  doi
openurl 
  Title Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C2N and CN2 molecules Type A1 Journal article
  Year 1994 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 226 Issue 5/6 Pages 475-483  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI), and coupled cluster (CCSD(T)) methods. Both molecules are very stable. Our best computed total atomization energies SIGMAD(e) are 288.6 +/- 2 kcal/mol for CN2, and 294.1 +/- 2 kcal/mol for C2N. The CNC and CCN structures for C2N are nearly isoenergetic. CNN(3PI) lies about 30 kcal/mol above NCN(3PI(g)), but has a high barrier towards interconversion and is therefore observed experimentally. Computed harmonic frequencies for CNN are sensitive to the correlation treatment: they are reproduced well using multireference methods as well as the CCSD(T) method. High spin contamination has a detrimental effect on computed harmonic frequencies at the CCSD(T) level.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1994PE00500008 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 46 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:10256 Serial 37  
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