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Author Goris, B.; van den Broek, W.; Batenburg, K.J.; Heidari Mezerji, H.; Bals, S. pdf  doi
openurl 
  Title Electron tomography based on a total variation minimization reconstruction technique Type A1 Journal article
  Year 2012 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 113 Issue Pages 120-130  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract The 3D reconstruction of a tilt series for electron tomography is mostly carried out using the weighted backprojection (WBP) algorithm or using one of the iterative algorithms such as the simultaneous iterative reconstruction technique (SIRT). However, it is known that these reconstruction algorithms cannot compensate for the missing wedge. Here, we apply a new reconstruction algorithm for electron tomography, which is based on compressive sensing. This is a field in image processing specialized in finding a sparse solution or a solution with a sparse gradient to a set of ill-posed linear equations. Therefore, it can be applied to electron tomography where the reconstructed objects often have a sparse gradient at the nanoscale. Using a combination of different simulated and experimental datasets, it is shown that missing wedge artefacts are reduced in the final reconstruction. Moreover, it seems that the reconstructed datasets have a higher fidelity and are easier to segment in comparison to reconstructions obtained by more conventional iterative algorithms.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Amsterdam Editor  
  Language Wos 000300554400006 Publication Date 2011-11-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 171 Open Access  
  Notes Fwo Approved Most recent IF: 2.843; 2012 IF: 2.470  
  Call Number UA @ lucian @ c:irua:93637 Serial 987  
Permanent link to this record
 

 
Author Biermans, E. openurl 
  Title Electron tomography : from qualitative to quantitative Type Doctoral thesis
  Year 2012 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:94220 Serial 989  
Permanent link to this record
 

 
Author Wu, Z.; Peeters, F.M.; Chang, K. url  doi
openurl 
  Title Electron tunneling through double magnetic barriers on the surface of a topological insulator Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue 11 Pages 115211-115211,7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study electron tunneling through a planar magnetic and electric barrier on the surface of a three-dimensional topological insulator. For the double barrier structures, we find (i) a directional-dependent tunneling which is sensitive to the magnetic field configuration and the electric gate voltage, (ii) a spin rotation controlled by the magnetic field and the gate voltage, (iii) many Fabry-Pérot resonances in the transmission determined by the distance between the two barriers, and (iv) the electrostatic potential can enhance the difference in the transmission between the two magnetization configurations, and consequently lead to a giant magnetoresistance. Points (i), (iii), and (iv) are alike with that in graphene stemming from the same linear-dispersion relations.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos 000282125700002 Publication Date 2010-09-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 65 Open Access  
  Notes ; This work was supported by the NSF of China, the Flemish Science Foundation (FWO-Vl), and the Belgian Science Policy. ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:85420 Serial 990  
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Author Bliokh, K.Y.; Schattschneider, P.; Verbeeck, J.; Nori, F. url  doi
openurl 
  Title Electron vortex beams in a magnetic field : a new twist on Landau levels and Aharonov-Bohm states Type A1 Journal article
  Year 2012 Publication Physical review X Abbreviated Journal Phys Rev X  
  Volume 2 Issue 4 Pages 041011-41015  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We examine the propagation of the recently discovered electron vortex beams in a longitudinal magnetic field. We consider both the Aharonov-Bohm configuration with a single flux line and the Landau case of a uniform magnetic field. While stationary Aharonov-Bohm modes represent Bessel beams with flux- and vortex-dependent probability distributions, stationary Landau states manifest themselves as nondiffracting Laguerre-Gaussian beams. Furthermore, the Landau-state beams possess field- and vortex-dependent phases: (i) the Zeeman phase from coupling the quantized angular momentum to the magnetic field and (ii) the Gouy phase, known from optical Laguerre-Gaussian beams. Remarkably, together these phases determine the structure of Landau energy levels. This unified Zeeman-Landau-Gouy phase manifests itself in a nontrivial evolution of images formed by various superpositions of modes. We demonstrate that, depending on the chosen superposition, the image can rotate in a magnetic field with either (i) Larmor, (ii) cyclotron (double-Larmor), or (iii) zero frequency. At the same time, its centroid always follows the classical cyclotron trajectory, in agreement with the Ehrenfest theorem. Interestingly, the nonrotating superpositions reproduce stable multivortex configurations that appear in rotating superfluids. Our results open an avenue for the direct electron-microscopy observation of fundamental properties of free quantum-electron states in magnetic fields.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication College Park, Md Editor  
  Language Wos 000311551100001 Publication Date 2012-11-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2160-3308; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.789 Times cited 130 Open Access  
  Notes Vortex ECASJO_; Approved Most recent IF: 12.789; 2012 IF: 6.711  
  Call Number UA @ lucian @ c:irua:105139UA @ admin @ c:irua:105139 Serial 991  
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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 (up) 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 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 Anisimovas, E.; Tavernier, M.B.; Peeters, F.M. url  doi
openurl 
  Title Electron-vortex separation in quantum dots Type A1 Journal article
  Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 77 Issue 4 Pages 045327,1-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Lancaster, Pa Editor  
  Language Wos 000252863100097 Publication Date 2008-01-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 3 Open Access  
  Notes Approved Most recent IF: 3.836; 2008 IF: 3.322  
  Call Number UA @ lucian @ c:irua:67888 Serial 993  
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Author Maes, J.; Hayne, M.; Sidor, Y.; Partoens, B.; Peeters, F.M.; González, Y.; González, L.; Fuster, D.; Garcia, J.M.; Moshchalkov, V.V. url  doi
openurl 
  Title Electron wave-function spillover in self-assembled InAs/InP quantum wires Type A1 Journal article
  Year 2004 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 70 Issue Pages 155311,1-7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Lancaster, Pa Editor  
  Language Wos 000224855900053 Publication Date 2004-10-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 43 Open Access  
  Notes Approved Most recent IF: 3.836; 2004 IF: 3.075  
  Call Number UA @ lucian @ c:irua:62435 Serial 994  
Permanent link to this record
 

 
Author Peelaers, H.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Electronic and dynamical properties of Si/Ge core-shell nanowires Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue 11 Pages 113411-113411,4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Full ab initio techniques are applied to study the electronic and dynamical properties of free standing, hydrogen-passivated Si/Ge core-shell nanowires oriented along the [110] direction. All studied wires exhibit a direct band gap and are found to be structurally stable. The different contributions of the core and shell atoms to the phonon spectra are identified. The acoustic phonon velocities and the frequencies of some typical optical modes are compared with those of pure Si and Ge nanowires. These depend either on the concentration or on the type of core material. Optical modes are hardened and longitudinal acoustic velocities are softened with decreasing wire diameter.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos 000282270000001 Publication Date 2010-09-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 13 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and NOI-BOF (University of Antwerp). ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:85421 Serial 995  
Permanent link to this record
 

 
Author Hernández-Nieves, A.D.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Electronic and magnetic properties of superlattices of graphene/graphane nanoribbons with different edge hydrogenation Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue 16 Pages 165412-165412,9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Zigzag graphene nanoribbons patterned on graphane are studied using spin-polarized ab initio calculations. We found that the electronic and magnetic properties of the graphene/graphane superlattice strongly depends on the degree of hydrogenation at the interfaces between the two materials. When both zigzag interfaces are fully hydrogenated, the superlattice behaves like a freestanding zigzag graphene nanoribbon, and the magnetic ground state is antiferromagnetic. When one of the interfaces is half hydrogenated, the magnetic ground state becomes ferromagnetic, and the system is very close to being a half metal with possible spintronics applications whereas the magnetic ground state of the superlattice with both interfaces half hydrogenated is again antiferromagnetic. In this last case, both edges of the graphane nanoribbon also contribute to the total magnetization of the system. All the spin-polarized ground states are semiconducting, independent of the degree of hydrogenation of the interfaces. The ab initio results are supplemented by a simple tight-binding analysis that captures the main qualitative features. Our ab initio results show that patterned hydrogenation of graphene is a promising way to obtain stable graphene nanoribbons with interesting technological applications.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos 000282569500011 Publication Date 2010-10-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 46 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI), the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (FW/08/01). A. D. H. acknowledges also support from ANPCyT (under Grant No. PICT2008-2236) ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:85030 Serial 996  
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Author Grujić, M.; Zarenia, M.; Chaves, A.; Tadić, M.; Farias, G.A.; Peeters, F.M. url  doi
openurl 
  Title Electronic and optical properties of a circular graphene quantum dot in a magnetic field : influence of the boundary conditions Type A1 Journal article
  Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 84 Issue 20 Pages 205441-205441,12  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract An analytical approach, using the Dirac-Weyl equation, is implemented to obtain the energy spectrum and optical absorption of a circular graphene quantum dot in the presence of an external magnetic field. Results are obtained for the infinite-massand zigzag boundary conditions. We found that the energy spectrum of a dot with the zigzag boundary condition exhibits a zero-energy band regardless of the value of the magnetic field, while for the infinite-mass boundary condition, the zero-energy states appear only for high magnetic fields. The analytical results are compared to those obtained from the tight-binding model: (i) we show the validity range of the continuum model and (ii) we find that the continuum model with the infinite-mass boundary condition describes rather well its tight-binding analog, which can be partially attributed to the blurring of the mixed edges by the staggered potential.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos 000297295400011 Publication Date 2011-11-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 78 Open Access  
  Notes ; This work was supported by the EuroGraphene programme of the ESF (project CONGRAN), the Ministry of Education and Science of Serbia, the Belgian Science Policy (IAP), the bilateral projects between Flanders and Brazil, the Flemish Science Foundation (FWO-Vl), and the Brazilian Research Council (CNPq). ; Approved Most recent IF: 3.836; 2011 IF: 3.691  
  Call Number UA @ lucian @ c:irua:94025 Serial 997  
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Author Ravi Kishore, V.V.; Partoens, B.; Peeters, F.M. pdf  doi
openurl 
  Title Electronic and optical properties of core-shell nanowires in a magnetic field Type A1 Journal article
  Year 2014 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 26 Issue 9 Pages 095501-95512  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic and optical properties of zincblende nanowires are investigated in the presence of a uniform magnetic field directed along the [001] growth direction within the k . p method. We focus our numerical study on core-shell nanowires consisting of the III-V materials GaAs, AlxGa1-xAs and AlyGa1-y/0.51In0.49P. Nanowires with electrons confined in the core exhibit a Fock-Darwin-like spectrum, whereas nanowires with electrons confined in the shell show Aharonov-Bohm oscillations. Thus, by properly choosing the core and the shell materials of the nanowire, the optical properties in a magnetic field can be tuned in very different ways.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication London Editor  
  Language Wos 000331954500006 Publication Date 2014-02-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 10 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish government. ; Approved Most recent IF: 2.649; 2014 IF: 2.346  
  Call Number UA @ lucian @ c:irua:115845 Serial 998  
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Author Zeng, Y.-J.; Schouteden, K.; Amini, M.N.; Ruan, S.-C.; Lu, Y.-F.; Ye, Z.-Z.; Partoens, B.; Lamoen, D.; Van Haesendonck, C. pdf  url
doi  openurl
  Title Electronic band structures and native point defects of ultrafine ZnO nanocrystals Type A1 Journal article
  Year 2015 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter  
  Volume 7 Issue 7 Pages 10617-10622  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract Ultrafine ZnO nanocrystals with a thickness down to 0.25 nm are grown by a metalorganic chemical vapor deposition method. Electronic band structures and native point defects of ZnO nanocrystals are studied by a combination of scanning tunneling microscopy/spectroscopy and first-principles density functional theory calculations. Below a critical thickness of nm ZnO adopts a graphitic-like structure and exhibits a wide band gap similar to its wurtzite counterpart. The hexagonal wurtzite structure, with a well-developed band gap evident from scanning tunneling spectroscopy, is established for a thickness starting from similar to 1.4 nm. With further increase of the thickness to 2 nm, V-O-V-Zn defect pairs are easily produced in ZnO nanocrystals due to the self-compensation effect in highly doped semiconductors.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos 000355055000063 Publication Date 2015-04-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1944-8244;1944-8252; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.504 Times cited 15 Open Access  
  Notes Hercules; EWI Approved Most recent IF: 7.504; 2015 IF: 6.723  
  Call Number c:irua:126408 Serial 999  
Permanent link to this record
 

 
Author Sena, S.H.R.; Pereira, J.M.; Farias, G.A.; Peeters, F.M.; Costa Filho, R.N. pdf  doi
openurl 
  Title The electronic properties of graphene and graphene ribbons under simple shear strain Type A1 Journal article
  Year 2012 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 24 Issue 37 Pages 375301  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A tight-binding model is used to study the energy band of graphene and graphene ribbon under simple shear strain. The ribbon consists of lines of carbon atoms in an armchair or zigzag orientation where a simple shear strain is applied in the x-direction keeping the atomic distances in the y-direction unchanged. Such modification in the lattice gives an energy band that differs in several aspects from the one without any shear and with pure shear. The changes in the spectrum depend on the line displacement of the ribbon, and also on the modified hopping parameter. It is also shown that this simple shear strain tunes the electronic properties of both graphene and graphene ribbon, opening and closing energy gaps for different displacements of the system. The modified density of states is also shown.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication London Editor  
  Language Wos 000308202700011 Publication Date 2012-08-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 15 Open Access  
  Notes ; This work was supported by CNPq (RNCF), the National Council for the Improvement of Higher Education (CAPES), the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the bilateral program between Flanders and Brazil. ; Approved Most recent IF: 2.649; 2012 IF: 2.355  
  Call Number UA @ lucian @ c:irua:101838 Serial 1000  
Permanent link to this record
 

 
Author Masir, M.R. openurl 
  Title Electronic properties of graphene in inhomogeneous magnetic fields Type Doctoral thesis
  Year 2012 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:98178 Serial 1001  
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Author Singh, S.K.; Neek-Amal, M.; Peeters, F.M. pdf  doi
openurl 
  Title Electronic properties of graphene nano-flakes : energy gap, permanent dipole, termination effect, and Raman spectroscopy Type A1 Journal article
  Year 2014 Publication The journal of chemical physics Abbreviated Journal J Chem Phys  
  Volume 140 Issue 7 Pages 074304-74309  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic properties of graphene nano-flakes (GNFs) with different edge passivation are investigated by using density functional theory. Passivation with F and H atoms is considered: C-Nc X-Nx (X = F or H). We studied GNFs with 10 < N-c < 56 and limit ourselves to the lowest energy configurations. We found that: (i) the energy difference Delta between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases with N-c, (ii) topological defects (pentagon and heptagon) break the symmetry of the GNFs and enhance the electric polarization, (iii) the mutual interaction of bilayer GNFs can be understood by dipole-dipole interaction which were found sensitive to the relative orientation of the GNFs, (iv) the permanent dipoles depend on the edge terminated atom, while the energy gap is independent of it, and (v) the presence of heptagon and pentagon defects in the GNFs results in the largest difference between the energy of the spin-up and spin-down electrons which is larger for the H-passivated GNFs as compared to F-passivated GNFs. Our study shows clearly the effect of geometry, size, termination, and bilayer on the electronic properties of small GNFs. This study reveals important features of graphene nano-flakes which can be detected using Raman spectroscopy. (C) 2014 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication New York, N.Y. Editor  
  Language Wos 000332039900020 Publication Date 2014-02-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606;1089-7690; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.965 Times cited 30 Open Access  
  Notes ; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 2.965; 2014 IF: 2.952  
  Call Number UA @ lucian @ c:irua:115857 Serial 1002  
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Author Verbeeck, J.; Bals, S.; Lamoen, D.; Luysberg, M.; Huijben, M.; Rijnders, G.; Brinkman, A.; Hilgenkamp, H.; Blank, D.H.A.; Van Tendeloo, G. url  doi
openurl 
  Title Electronic reconstruction at n-type SrTiO3/LaAlO3 interfaces Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 81 Issue 8 Pages 085113,1-085113,6  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Electron-energy-loss spectroscopy (EELS) is used to investigate single layers of LaAlO3 grown on SrTiO3 having an n-type interface as well as multilayers of LaAlO3 and SrTiO3 in which both n- and p-type interfaces occur. Only minor changes in Ti valence at the n-type interface are observed. This finding seems to contradict earlier experiments for other SrTiO3/LaAlO3 systems where large deviations in Ti valency were assumed to be responsible for the conductivity of these interfaces. Ab initio calculations have been carried out in order to interpret our EELS results. Using the concept of Bader charges, it is demonstrated that the so-called polar discontinuity is mainly resolved by lattice distortions and to a far lesser extent by changes in valency for both single layer and multilayer geometries.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos 000275053300040 Publication Date 2010-02-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 25 Open Access  
  Notes Esteem 026019; Fwo Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:81768UA @ admin @ c:irua:81768 Serial 1005  
Permanent link to this record
 

 
Author Ramos, A.C.A.; Chaves, A.; Farias, G.A.; Peeters, F.M. url  doi
openurl 
  Title Electronic states above a helium film suspended on a ring-shaped substrate Type A1 Journal article
  Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 77 Issue 4 Pages 045415,1-6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Lancaster, Pa Editor  
  Language Wos 000252863100117 Publication Date 2008-01-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 4 Open Access  
  Notes Approved Most recent IF: 3.836; 2008 IF: 3.322  
  Call Number UA @ lucian @ c:irua:67889 Serial 1006  
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Author Moldovan, D.; Masir, M.R.; Peeters, F.M. url  doi
openurl 
  Title Electronic states in a graphene flake strained by a Gaussian bump Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 3 Pages 035446-35447  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effect of strain in graphene is usually modeled by a pseudomagnetic vector potential which is, however, derived in the limit of small strain. In realistic cases deviations are expected in view of graphene's very high strain tolerance, which can be up to 25%. Here we investigate the pseudomagnetic field generated by a Gaussian bump and we show that it exhibits significant differences with numerical tight-binding results. Furthermore, we calculate the electronic states in the strained region for a hexagon shaped flake with armchair edges. We find that the sixfold symmetry of the wave functions inside the Gaussian bump is directly related to the different effects of strain along the fundamental directions of graphene: zigzag and armchair. Low energy electrons are strongly confined in the armchair directions and are localized on the carbon atoms of a single sublattice.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos 000322587500003 Publication Date 2013-07-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 50 Open Access  
  Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Funding of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109800 Serial 1007  
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Author Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B.; van Speybroeck, V.; Waroquier, M. pdf  url
doi  openurl
  Title Electronic structure and band gap of zinc spinel oxides beyond LDA : ZnAl2O4, ZnGa2O4 and ZnIn2O4 Type A1 Journal article
  Year 2011 Publication New journal of physics Abbreviated Journal New J Phys  
  Volume 13 Issue 6 Pages 063002-063002,11  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We examine the electronic structure of the family of ternary zinc spinel oxides ZnX2O4 (X=Al, Ga and In). The band gap of ZnAl2O4 calculated using density functional theory (DFT) is 4.25 eV and is overestimated compared with the experimental value of 3.83.9 eV. The DFT band gap of ZnGa2O4 is 2.82 eV and is underestimated compared with the experimental value of 4.45.0 eV. Since DFT typically underestimates the band gap in the oxide system, the experimental measurements for ZnAl2O4 probably require a correction. We use two first-principles techniques capable of describing accurately the excited states of semiconductors, namely the GW approximation and the modified BeckeJohnson (MBJ) potential approximation, to calculate the band gap of ZnX2O4. The GW and MBJ band gaps are in good agreement with each other. In the case of ZnAl2O4, the predicted band gap values are >6 eV, i.e. ~2 eV larger than the only reported experimental value. We expect future experimental work to confirm our results. Our calculations of the electron effective masses and the second band gap indicate that these compounds are very good candidates to act as transparent conducting host materials.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Bristol Editor  
  Language Wos 000292137500002 Publication Date 2011-06-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.786 Times cited 98 Open Access  
  Notes Iwt; Fwo; Bof-Noi Approved Most recent IF: 3.786; 2011 IF: 4.177  
  Call Number UA @ lucian @ c:irua:89555 Serial 1008  
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Author Nikolaev, A.V.; Michel, K.H. doi  openurl
  Title Electronic structure and electric quadrupoles of a polymerized chain in solid AC60 Type A1 Journal article
  Year 2001 Publication Solid state communications Abbreviated Journal Solid State Commun  
  Volume 117 Issue Pages 739-743  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication New York, N.Y. Editor  
  Language Wos 000167538300010 Publication Date 2002-07-25  
  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 10 Open Access  
  Notes Approved Most recent IF: 1.554; 2001 IF: 1.381  
  Call Number UA @ lucian @ c:irua:36881 Serial 1009  
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Author Kishore, V.V.R.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Electronic structure and optical absorption of GaAs/AlxGa1-xAs and AlxGa1-xAs/GaAs core-shell nanowires Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue 23 Pages 235425-235425,9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic structure of GaAs/AlxGa1−xAs and AlxGa1−xAs/GaAs core-shell nanowires grown in the [001] direction is studied. The k⋅p method with the 6×6 Kohn-Lüttinger Hamiltonian, taking into account the split-off band is used. The variation in the energy level dispersion, the spinor contribution to the ground state and the optical interband absorption are studied. For some range of parameters the top of the valence band exhibits a camelback structure which results in an extra peak in the optical absorption.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos 000286769100008 Publication Date 2010-12-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 23 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:86911 Serial 1010  
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Author Neek-Amal, M.; Covaci, L.; Shakouri, K.; Peeters, F.M. url  doi
openurl 
  Title Electronic structure of a hexagonal graphene flake subjected to triaxial stress Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 11 Pages 115428  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic properties of a triaxially strained hexagonal graphene flake with either armchair or zigzag edges are investigated using molecular dynamics simulations and tight-binding calculations. We found that (i) the pseudomagnetic field in strained graphene flakes is not uniform neither in the center nor at the edge of zigzag terminated flakes, (ii) the pseudomagnetic field is almost zero in the center of armchair terminated flakes but increases dramatically near the edges, (iii) the pseudomagnetic field increases linearly with strain, for strains lower than 15% but increases nonlinearly beyond it, (iv) the local density of states in the center of the zigzag hexagon exhibits pseudo-Landau levels with broken sublattice symmetry in the zeroth pseudo-Landau level, and in addition there is a shift in the Dirac cone due to strain induced scalar potentials, and (v) there is size effect in pseudomagnetic field. This study provides a realistic model of the electronic properties of inhomogeneously strained graphene where the relaxation of the atomic positions is correctly included together with strain induced modifications of the hopping terms up to next-nearest neighbors.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos 000324690400008 Publication Date 2013-09-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 46 Open Access  
  Notes ; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M.N.-A.), the ESF EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:111168 Serial 1011  
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Author Shi, J.M.; Koenraad, P.M.; van de Stadt, A.F.W.; Peeters, F.M.; Devreese, J.T.; Wolter, J.H. doi  openurl
  Title Electronic structure of a Si \delta-doped layer in a GaAs/AlxGa1-xAs/GaAs quantum barrier Type A1 Journal article
  Year 1996 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 54 Issue 11 Pages 7996-8004  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract We present a theoretical study of the electronic structure of a heavily Si delta-doped layer in a GaAs/AlxGa1-xAs/GaAs quantum barrier. In this class of structures the effect of DX centers on the electronic properties can be tuned by changing the AlxGa1-xAs barrier width and/or the Al concentration, which leads to a lowering of the DX level with respect to the Fermi energy without disturbing the wave functions much. A self-consistent approach is developed in which the effective confinement potential and the Fermi energy of the system, the energies, the wave functions, and the electron densities of the discrete subbands have been obtained as a function of both the material parameters of the samples and the experimental conditions. The effect of DX centers on such structures at nonzero temperature and under an external pressure is investigated for three different models: (1) the DX(nc)(0) model with no correlation effects, (2) the d(+)/DX(0) model, and (3) the d(+)/DX(-) model with inclusion of correlation effects. In the actual calculation, influences of the background accepters, the discontinuity of the effective mass of the electrons at the interfaces of the different materials, band nonparabolicity, and the exchange-correlation energy of the electrons have been taken into account. We have found that (1) introducing a quantum barrier into delta-doped GaAs makes it possible to control the energy gaps between different electronic; subbands; (2) the electron wave functions are mon spread out when the repellent effect of the barriers is increased as compared to those in delta-doped GaAs; (3) increasing the quantum-barrier height and/or the application of hydrostatic pressure are helpful to experimentally observe the effect of the DX centers through a decrease of the total free-electron density; and (4) the correlation effects of the charged impurities are important for the systems under study.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Lancaster, Pa Editor  
  Language Wos A1996VL14500066 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 UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.736 Times cited 11 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:104388 Serial 1012  
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Author Kishore, V.V.R. openurl 
  Title Electronic structure of core-shell nanowires Type Doctoral thesis
  Year 2013 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:105035 Serial 1013  
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Author Kishore, V.V.R.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Electronic structure of InAs/GaSb core-shell nanowires Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue 16 Pages 165439-7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic and optical properties of InAs/GaSb core-shell nanowires are investigated within the effective mass k . p approach. These systems have a broken band gap, which results in spatially separated confinement of electrons and holes. We investigated these structures for different sizes of the InAs and GaSb core and shell radius. We found that for certain configurations, the conduction band states penetrate into the valence band states resulting in a negative band gap (E-g < 0), which leads to a conduction band ground state that lies below the valence band ground state at the Gamma point. For certain core-shell wires, only one conduction band state penetrates into the valence band and in this case, a minigap Delta opens up away from the Gamma point and as a consequence the electronic properties of the nanowire now depend on both E-g and Delta values.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos 000310131400005 Publication Date 2012-10-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 26 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:102164 Serial 1014  
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Author Felten, A.; Ghijsen, J.; Pireaux, J.-J.; Drube, W.; Johnson, R.L.; Liang, D.; Hecq, M.; Van Tendeloo, G.; Bittencourt, C. pdf  doi
openurl 
  Title Electronic structure of Pd nanoparticles on carbon nanotubes Type A1 Journal article
  Year 2009 Publication Micron Abbreviated Journal Micron  
  Volume 40 Issue 1 Pages 74-79  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The effect of the oxygen plasma treatment on the electronic states of multi-wall carbon nanotubes (MWCNTs) is analyzed by X-ray photoemission measurements (XPS) and UPS, both using synchrotron radiation. It is found that the plasma treatment effectively grafts oxygen at the CNT-surface. Thereafter, the interaction between evaporated Pd and pristine or oxygen plasma-treated MWCNTs is investigated. Pd is found to nucleate at defective sites, whether initially present or introduced by oxygen plasma treatment. The plasma treatment induced a uniform dispersion of Pd clusters at the CNT-surface. The absence of additional features in the Pd 3d and C I s core levels spectra testifies that no Pd-C bond is formed. The shift of the Pd 3d core level towards high-binding energy for the smallest clusters is attributed to the Coulomb energy of the charged final state. (C) 2008 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Oxford Editor  
  Language Wos 000261420900015 Publication Date 2008-02-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0968-4328; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.98 Times cited 44 Open Access  
  Notes Pai 608 Approved Most recent IF: 1.98; 2009 IF: 1.626  
  Call Number UA @ lucian @ c:irua:94578 Serial 1015  
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Author Dixit, H.; Saniz, R.; Cottenier, S.; Lamoen, D.; Partoens, B. pdf  doi
openurl 
  Title Electronic structure of transparent oxides with the Tran-Blaha modified Becke-Johnson potential Type A1 Journal article
  Year 2012 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 24 Issue 20 Pages 205503-205503,9  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We present electronic band structures of transparent oxides calculated using the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. We studied the basic n-type conducting binary oxides In2O3, ZnO, CdO and SnO2 along with the p-type conducting ternary oxides delafossite CuXO2 (X = Al, Ga, In) and spinel ZnX2O4 (X = Co, Rh, Ir). The results are presented for calculated band gaps and effective electron masses. We discuss the improvements in the band gap determination using TB-mBJ compared to the standard generalized gradient approximation (GGA) in density functional theory (DFT) and also compare the electronic band structure with available results from the quasiparticle GW method. It is shown that the calculated band gaps compare well with the experimental and GW results, although the electron effective mass is generally overestimated.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication London Editor  
  Language Wos 000303507100009 Publication Date 2012-04-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 113 Open Access  
  Notes Iwt; Fwo Approved Most recent IF: 2.649; 2012 IF: 2.355  
  Call Number UA @ lucian @ c:irua:98222 Serial 1017  
Permanent link to this record
 

 
Author Lamoen, D.; Ballone, P.; Parrinello, M. openurl 
  Title Electronic structure, screening and charging effects at a metal/organic tunneling junction: a first principles study Type A1 Journal article
  Year 1996 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 54 Issue Pages 5097  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Lancaster, Pa Editor  
  Language Wos A1996VE48800102 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121; 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.736 Times cited 33 Open Access  
  Notes Approved PHYSICS, CONDENSED MATTER 16/67 Q1 #  
  Call Number UA @ lucian @ c:irua:15820 Serial 1018  
Permanent link to this record
 

 
Author Ibrahim, I.S.; Peeters, F.M. doi  openurl
  Title Electrons in a periodic magnetic field Type A1 Journal article
  Year 1996 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci  
  Volume 361/362 Issue Pages 341-344  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Amsterdam Editor  
  Language Wos A1996UZ03300083 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.925 Times cited 3 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:15815 Serial 1020  
Permanent link to this record
 

 
Author Peeters, F.M.; Matulis, A. openurl 
  Title Electrons in non-homogeneous magnetic fields Type A1 Journal article
  Year 1994 Publication Brazilian journal of physics Abbreviated Journal Braz J Phys  
  Volume 24 Issue Pages 283-296  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication São Paulo Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0103-9733 ISBN Additional Links UA library record  
  Impact Factor 0.81 Times cited Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:9362 Serial 1021  
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