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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 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 (down) 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  
Permanent link to this record
 
 
Author Verberck, B.; Nikolaev, A.V.; Michel, K.H. url  doi
openurl 
  Title Theoretical model for the structural phase transition at the metal-insulator transition in polymerized KC60 Type A1 Journal article
  Year 2002 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 66 Issue 16 Pages 165425-165425,14  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The recently discovered structural transition in polymerized KC60 at about 50 K results in a doubling of the unit cell volume and accompanies the metal-insulator transition. Here we show that the ((a) over right arrow+(c) over right arrow,(b) over right arrow,(a) over right arrow-(c) over right arrow) superstructure results from small orientational charge density waves along the polymer chains and concomitant displacements of the surrounding K+ ions. The effect is specific for the space group Pmnn of KC60 and is absent in RbC60 and CsC60 (space group I2/m). The mechanism is relevant for the metal-insulator transition.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000179286400135 Publication Date 2002-10-30  
  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 10 Open Access  
  Notes Approved Most recent IF: 3.836; 2002 IF: NA  
  Call Number UA @ lucian @ c:irua:94907 Serial 3608  
Permanent link to this record
 
 
Author Rosenauer, A.; Schowalter, M.; Glas, F.; Lamoen, D. doi  openurl
  Title First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs Type A1 Journal article
  Year 2005 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 72 Issue 8 Pages 1-10  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract This work provides values of electron scattering 002 structure factors for InxGa1-xAs as a function of the In concentration x=0 to 1. These results allow accurate compositional analysis of pseudomorphically grown InxGa1-xAs/GaAs layers by transmission electron microscopy methods relying on the chemical sensitivity of the (002) beam. The calculations go beyond the limits of the isolated atom approximation, because they take into account charge redistribution effects between atomic sites in the crystal, strain, and static atomic displacements. The computations were performed by the full potential linearized augmented plane-wave method using a generalized gradient approximation for the exchange and correlation part of the potential. The calculations of strained InxGa1-xAs correspond to the strain state in specimens with large, small, and intermediate thickness in the electron beam direction. Additionally, the effect of static atomic displacements is taken into account. All results are listed in a parameterized form. The calculated 002 structure factor vanishes at an In concentration of 16.4%. This value is in a good agreement with previously reported experimental measurements. Hence, our results are a significant improvement with respect to the isolated atom approximation which is conventionally applied in transmission electron microscopy simulations, and which predicts a value of 22.5%.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000231564600106 Publication Date 2005-08-12  
  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 42 Open Access  
  Notes Approved Most recent IF: 3.836; 2005 IF: 3.185  
  Call Number UA @ lucian @ c:irua:54918 Serial 1201  
Permanent link to this record
 
 
Author Leys, F.E.; March, N.H.; Lamoen, D. doi  openurl
  Title High pressure limiting forms of the zero-temperature equations of state of Ta and Pu from relativistic Thomas-Fermi theory Type A1 Journal article
  Year 2003 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 67 Issue Pages 064109  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000181501100021 Publication Date 2003-03-01  
  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 1 Open Access  
  Notes Approved Most recent IF: 3.836; 2003 IF: NA  
  Call Number UA @ lucian @ c:irua:45628 Serial 1439  
Permanent link to this record
 
 
Author Leys, F.E.; March, N.H.; Angilella, G.G.N.; Lamoen, D. doi  openurl
  Title Self consistent nonlocal linear-response theory of a relativistic electron gas Type A1 Journal article
  Year 2003 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 67 Issue Pages 113105  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000182035100005 Publication Date 2003-04-01  
  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;  
  Impact Factor 3.836 Times cited Open Access  
  Notes Approved Most recent IF: 3.836; 2003 IF: NA  
  Call Number UA @ lucian @ c:irua:45627 Serial 2973  
Permanent link to this record
 
 
Author Misko, V.R.; Fomin, V.M.; Devreese, J.T. doi  openurl
  Title Strong enhancement of superconductivity in a nanosized Pb bridge Type A1 Journal article
  Year 2001 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 64 Issue Pages 014517,1-13  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000169711900093 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 28 Open Access  
  Notes Approved Most recent IF: 3.836; 2001 IF: NA  
  Call Number UA @ lucian @ c:irua:34316 Serial 3181  
Permanent link to this record
 
 
Author Fomin, V.M.; Misko, V.R.; Devreese, J.T.; Moshchalkov, V.V. doi  openurl
  Title Superconducting mesoscopic square loop Type A1 Journal article
  Year 1998 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 58 Issue Pages 11703-11715  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000076716700093 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 43 Open Access  
  Notes Approved Most recent IF: 3.836; 1998 IF: NA  
  Call Number UA @ lucian @ c:irua:21906 Serial 3354  
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 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 (down) 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 Covaci, L.; Marsiglio, F. doi  openurl
  Title Proximity effect and Josephson current in clean strong/weak/strong superconducting trilayers Type A1 Journal article
  Year 2006 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 73 Issue 1 Pages 014503  
  Keywords A1 Journal article  
  Abstract Recent measurements of the Josephson critical current through LSCO/LCO/LSCO thin films showed an unusually large proximity effect. Using the Bogoliubov-de Gennes equations for a tight-binding Hamiltonian we describe the proximity effect in weak links between a superconductor with critical temperature T-c and one with critical temperature T-c('), where T-c > T-c('). The weak link (N-') is therefore a superconductor above its own critical temperature and the superconducting regions are considered to have either s-wave or d-wave symmetry. We note that the proximity effect is enhanced due to the presence of superconducting correlations in the weak link. The dc Josephson current is calculated, and we obtain a nonzero value for temperatures greater than T-c(') for sizes of the weak links that can be almost an order of magnitude greater than the conventional coherence length. Considering pockets of superconductivity in the N-' layer, we show that this can lead to an even larger effect on the Josephson critical current by effectively shortening the weak link.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000235009000103 Publication Date 2006-01-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121 ISBN Additional Links (down)  
  Impact Factor 3.836 Times cited 31 Open Access  
  Notes Approved Most recent IF: 3.836; 2006 IF: 3.107  
  Call Number UA @ lucian @ Serial 4427  
Permanent link to this record
 
 
Author Doğan, F.; Covaci, L.; Kim, W.; Marsiglio, F. doi  openurl
  Title Emerging nonequilibrium bound state in spin-current–local-spin scattering Type A1 Journal article
  Year 2009 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 80 Issue 10 Pages 104434  
  Keywords A1 Journal article  
  Abstract Magnetization reversal is a well-studied problem with obvious applicability in computer hard drives. One can accomplish a magnetization reversal in at least one of two ways: application of a magnetic field or through a spin current. The latter is more amenable to a fully quantum-mechanical analysis. We formulate and solve the problem whereby a spin current interacts with a ferromagnetic Heisenberg spin chain, to eventually reverse the magnetization of the chain. Spin flips are accomplished through both elastic and inelastic scattering. A consequence of the inelastic-scattering channel, when it is no longer energetically possible, is the occurrence of a nonequilibrium bound state, which is an emergent property of the coupled local plus itinerant spin system. For certain definite parameter values the itinerant spin lingers near the local spins for some time, before eventually leaking out as an outwardly diffusing state. This phenomenon results in spin-flip dynamics and filtering properties for this type of system.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000270383100077 Publication Date 2009-09-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121 ISBN Additional Links (down)  
  Impact Factor 3.836 Times cited Open Access  
  Notes Approved Most recent IF: 3.836; 2009 IF: 3.475  
  Call Number UA @ lucian @ Serial 4436  
Permanent link to this record
 
 
Author Kim, W.; Covaci, L.; Marsiglio, F. doi  openurl
  Title Impurity scattering of wave packets on a lattice Type A1 Journal article
  Year 2006 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 74 Issue 20 Pages 205120  
  Keywords A1 Journal article  
  Abstract Quantum transport in a lattice is distinct from its counterpart in continuum media. Even a free wave packet travels differently in a lattice than in the continuum. We describe quantum scattering in a one-dimensional lattice and illustrate characteristics of quantum transport such as resonant transmission. In particular we examine the transport characteristics of a random trimer model. We demonstrate the real-time propagation of a wave packet and its phase shift due to impurity configurations. Spin-flip scattering is also taken into account in a spin-chain system. We show how individual spins in the chain evolve as a result of a spin-flip interaction between an incoming electron and a spin chain.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000242409400030 Publication Date 2006-11-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121 ISBN Additional Links (down)  
  Impact Factor 3.836 Times cited 14 Open Access  
  Notes Approved Most recent IF: 3.836; 2006 IF: 3.107  
  Call Number UA @ lucian @ Serial 4428  
Permanent link to this record
 
 
Author Kim, W.; Covaci, L.; Marsiglio, F. doi  openurl
  Title Hidden symmetries of electronic transport in a disordered one-dimensional lattice Type A1 Journal article
  Year 2006 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 73 Issue 19 Pages 195109  
  Keywords A1 Journal article  
  Abstract Correlated, or extended, impurities play an important role in the transport properties of dirty metals. Here, we examine, in the framework of a tight-binding lattice, the transmission of a single electron through an array of correlated impurities. In particular we show that particles transmit through an impurity array in identical fashion, regardless of the direction of traversal. The demonstration of this fact is straightforward in the continuum limit, but requires a detailed proof for the discrete lattice. We also briefly demonstrate and discuss the time evolution of these scattering states, to delineate regions (in time and space) where the aforementioned symmetry is violated.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000237950400042 Publication Date 2006-05-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121 ISBN Additional Links (down)  
  Impact Factor 3.836 Times cited 5 Open Access  
  Notes Approved Most recent IF: 3.836; 2006 IF: 3.107  
  Call Number UA @ lucian @ Serial 4429  
Permanent link to this record
 
 
Author N. Gauquelin, E. Benckiser, M. K. Kinyanjui, M. Wu, Y. Lu, G. Christiani, G. Logvenov, H.-U. Habermeier, U. Kaiser, B. Keimer, and G. A. Botton url  doi
openurl 
  Title Atomically resolved EELS mapping of the interfacial structure of epitaxially strained LaNiO3/LaAlO3 superlattices Type A1 Journal Article
  Year 2014 Publication Physical Review B Abbreviated Journal  
  Volume 90 Issue Pages 195140  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract The interfacial atomic structure of a metallic LaNiO3/LaAlO3 superlattice grown on a LaSrAlO4 substrate was

investigated using a combination of atomically resolved electron energy loss spectroscopy (EELS) at the Al K,

Al L2,3, Sr L2,3, Ni L2,3, La M4,5, and O K edges as well as hybridization mapping of selected features of the O

K-edge fine structure.We observe an additional La1−xSrxAl1−yNiyO3 layer at the substrate-superlattice interface,

possibly linked to diffusion of Al and Sr into the growing film or a surface reconstruction due to Sr segregation.

The roughness of the LaNiO3/LaAlO3 interfaces is found to be on average around one pseudocubic unit cell. The

O K-edge EELS spectra revealed reduced spectral weight of the prepeak derived from Ni-O hybridized states in

the LaNiO3 layers. We rule out oxygen nonstoichiometry of the LaNiO3 layers and discuss changes in the Ni-O

hybridization due to heterostructuring as possible origin.		  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000345467000003 Publication Date 2014-11-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links (down)  
  Impact Factor Times cited 17 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number EMAT @ emat @ Serial 4544  
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