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Author Roy, P.; Torun, E.; de Groot, R.A.
Title Effect of doping and elastic properties in (Mn,Fe)2(Si,P) Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 094110
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Mixed magnetism (the coexistence of strong and weak magnetism in one material) is regarded as the origin of the giant magnetocaloric effect (GMCE). A good example is (Mn,Fe)(2)(Si,P), which is established as one of the best magnetocaloric materials available. Tuning the material properties are essential for optimizing its performance, and a straightforward way to do that is by doping. In this article, an ab initio electronic structure method was used to calculate the structure and magnetic properties of 3d-transition-metal-doped (Mn,Fe)(2)(Si,P) materials for magnetocaloric applications (transition metals are Cr, Co, Mn, Ni, Cu). For a steady performance, the material should be mechanically stable. A detailed analysis of the elastic constants shows that the mechanical stability of the (Mn,Fe)(2)(Si,P) system increases significantly by doping with boron without affecting the magnetic properties. Insights of the influence of doping enable future studies to understand and predict bettermagnetocaloric materials.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Editor
Language Wos 000372712100001 Publication Date 2016-03-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 9 Open Access
Notes ; This work is part of an Industrial Partnership Programme (IPP I28) of Fundamenteel Onderzoek der Materie (FOM) (The Netherlands) and co-financed by BASF New Business. The authors would like to thank Phuong Thao Nguyen and Dr. Gilles A. de Wijs for very useful discussions. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:133192 Serial 4164
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Author Berdiyorov, G.R.; Savel'ev, S.; Kusmartsev, F.V.; Peeters, F.M.
Title Effect of ordered array of magnetic dots on the dynamics of Josephson vortices in stacked SNS Josephson junctions under DC and AC current Type A1 Journal article
Year 2015 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B
Volume 88 Issue 88 Pages 286
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We use the anisotropic time-dependent Ginzburg-Landau theory to investigate the effect of a square array of out-of-plane magnetic dots on the dynamics of Josephson vortices (fluxons) in artificial stacks of superconducting-normal-superconducting (SNS) Josephson junctions in the presence of external DC and AC currents. Periodic pinning due to the magnetic dots distorts the triangular lattice of fluxons and results in the appearance of commensurability features in the current-voltage characteristics of the system. For the larger values of the magnetization, additional peaks appear in the voltage-time characteristics of the system due to the creation and annihilation of vortex-antivortex pairs. Peculiar changes in the response of the system to the applied current is found resulting in a “superradiant” vortex-flow state at large current values, where a rectangular lattice of moving vortices is formed. Synchronizing the motion of fluxons by adding a small ac component to the biasing dc current is realized. However, we found that synchronization becomes difficult for large magnetization of the dots due to the formation of vortex-antivortex pairs.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Berlin Editor
Language Wos 000363960900002 Publication Date 2015-10-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-6028 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.461 Times cited 1 Open Access
Notes ; This work was supported by EU Marie Curie (Project No. 253057). ; Approved Most recent IF: 1.461; 2015 IF: 1.345
Call Number UA @ lucian @ c:irua:129509 Serial 4166
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Author Bakalov, P.; Esfahani, D.N.; Covaci, L.; Peeters, F.M.; Tempere, J.; Locquet, J.-P.
Title Electric-field-driven Mott metal-insulator transition in correlated thin films : an inhomogeneous dynamical mean-field theory approach Type A1 Journal article
Year 2016 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 165112
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract Simulations are carried out based on the dynamical mean-field theory (DMFT) in order to investigate the properties of correlated thin films for various values of the chemical potential, temperature, interaction strength, and applied transverse electric field. Application of a sufficiently strong field to a thin film at half filling leads to the appearance of conducting regions near the surfaces of the film, whereas in doped slabs the application of a field leads to a conductivity enhancement on one side of the film and a gradual transition to the insulating state on the opposite side. In addition to the inhomogeneous DMFT, a local density approximation (LDA) is considered in which the particle density n, quasiparticle residue Z, and spectral weight at the Fermi level A(ω=0) of each layer are approximated by a homogeneous bulk environment. A systematic comparison between the two approaches reveals that the less expensive LDA results are in good agreement with the DMFT approach, except close to the metal-to-insulator transition points and in the layers immediately at the film surfaces. LDA values for n are overall more reliable than those for Z and A(ω=0). The hysteretic behavior (memory effect) characteristic of the bulk doping driven Mott transition persists in the slab.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Lancaster, Pa Editor
Language Wos 000373572700002 Publication Date 2016-04-09
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 5 Open Access
Notes ; This work was partially funded by the Flemish Fund for Scientific Research (FWO Belgium) under FWO Grant No. G.0520.10 and the joint FWF (Austria)-FWO Grant No. GOG6616N, and by the SITOGA FP7 project. Most of the calculations were performed on KU Leuven's ThinKing HPC cluster provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:132872 Serial 4167
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Author Van Boxem, R.
Title Electron vortex beams : an in-depth theoretical study Type Doctoral thesis
Year 2015 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
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:132968 Serial 4168
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Author Pavlović, S.; Peeters, F.M.
Title Electronic properties of triangular and hexagonal MoS2 quantum dots Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 91 Issue 91 Pages 155410
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the tight-binding approach, we calculate the electronic structure of triangular and hexagonal MoS2 quantum dots. Due to the orbital asymmetry we show that it is possible to form quantum dots with the same shape but having different electronic properties. The electronic states of triangular and hexagonal quantum dots are explored, as well as the local and total density of states and the convergence towards the bulk spectrum with dot size is investigated. Our calculations show that: (1) edge states appear in the band gap, (2) that there are a larger number of electronic states in the conduction band as compared to the valence band, and (3) the relative number of edge states decreases with increasing dot size.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Lancaster, Pa Editor
Language Wos 000352591200005 Publication Date 2015-04-11
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 44 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem Foundation of the Flemish government. Stefan Pavlovic is supported by JoinEU-SEE IV, Erasmus Mundus Action 2 programme. We thank J. M. Pereira for interesting discussions. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number UA @ lucian @ c:irua:132516 Serial 4170
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Author Craco, L.; Carara, S.S.; da Silva Pereira, T.A.; Milošević, M.V.
Title Electronic states in an atomistic carbon quantum dot patterned in graphene Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 155417
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We reveal the emergence of metallicKondo clouds in an atomistic carbon quantum dot, realized as a single-atom junction in a suitably patterned graphene nanoflake. Using density functional dynamical mean-field theory (DFDMFT) we show how correlation effects lead to striking features in the electronic structure of our device, and how those are enhanced by the electron-electron interactions when graphene is patterned at the atomistic scale. Our setup provides a well-controlled environment to understand the principles behind the orbital-selective Kondo physics and the interplay between orbital and spin degrees of freedom in carbon-based nanomaterials, which indicate new pathways for spintronics in atomically patterned graphene.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Editor
Language Wos 000373760900004 Publication Date 2016-04-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 6 Open Access
Notes ; L.C.'s work is supported by CNPq (Proc. No. 307487/2014-8). Acknowledgment (L.C.) is also made to G. Seifert for discussions and the Department of Theoretical Chemistry at Technical University Dresden for hospitality. T.A.S.P. thanks PRONEX/CNPq/FAPEMAT 850109/2009 for financial support. M.V.M. acknowledges support from Research Foundation-Flanders (FWO), TOPBOF, and the CAPES-PVE program. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:133260 Serial 4171
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Author Orlova, N.
Title Emergent phenomena in superconductors and superfluids with multicomponent quantum condensates Type Doctoral thesis
Year 2016 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
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:134094 Serial 4172
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Author da Costa, D.R.; Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M.
Title Energy levels of bilayer graphene quantum dots Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 92 Issue 92 Pages 115437
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Within a tight binding approach we investigate the energy levels of hexagonal and triangular bilayer graphene (BLG) quantum dots (QDs) with zigzag and armchair edges. We study AA- and AB-(Bernal) stacked BLG QDs and obtain the energy levels in both the absence and the presence of a perpendicular electric field (i.e., biased BLG QDs). Our results show that the size dependence of the energy levels is different from that of monolayer graphene QDs. The energy spectrum of AB-stacked BLG QDs with zigzag edges exhibits edge states which spread out into the opened energy gap in the presence of a perpendicular electric field. We found that the behavior of these edges states is different for the hexagonal and triangular geometries. In the case of AA-stacked BLG QDs, the electron and hole energy levels cross each other in both cases of armchair and zigzag edges as the dot size or the applied bias increases.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Lancaster, Pa Editor
Language Wos 000361663700003 Publication Date 2015-09-24
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 21 Open Access
Notes ; This work was financially supported by CNPq, under contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the process number BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the Bilateral programme between CNPq and FWO-Vl, and the Brazilian Program Science Without Borders (CsF). ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number UA @ lucian @ c:irua:128726 Serial 4173
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Author Mirzakhani, M.; Zarenia, M.; Ketabi, S.A.; da Costa, D.R.; Peeters, F.M.
Title Energy levels of hybrid monolayer-bilayer graphene quantum dots Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 165410
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Often real samples of graphene consist of islands of both monolayer and bilayer graphene. Bound states in such hybrid quantum dots are investigated for (i) a circular single-layer graphene quantum dot surrounded by an infinite bilayer graphene sheet and (ii) a circular bilayer graphene quantum dot surrounded by an infinite single-layer graphene. Using the continuum model and applying zigzag boundary conditions at the single-layer-bilayer graphene interface, we obtain analytical results for the energy levels and the corresponding wave spinors. Their dependence on perpendicular magnetic and electric fields are studied for both types of quantum dots. The energy levels exhibit characteristics of interface states, and we find anticrossings and closing of the energy gap in the presence of a bias potential.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Editor
Language Wos 000373572700004 Publication Date 2016-04-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; 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 Fonds Wetenschappelijk Onderzoek (FWO)-CNPq project between Flanders and Brazil and the Brazilian Science Without Borders program. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:133261 Serial 4174
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Author Meng, X.; Pant, A.; Cai, H.; Kang, J.; Sahin, H.; Chen, B.; Wu, K.; Yang, S.; Suslu, A.; Peeters, F.M.; Tongay, S.;
Title Engineering excitonic dynamics and environmental stability of post-transition metal chalcogenides by pyridine functionalization technique Type A1 Journal article
Year 2015 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 7 Issue 7 Pages 17109-17115
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract http://cmt.ua.ac.be/hsahin/publishedpapers/46.pdf
Address
Corporate Author Thesis
Publisher (up) Place of Publication Cambridge Editor
Language Wos http://cmt.ua.ac.be/hsahin/publishedpapers/46.pdf Publication Date 2015-09-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364 ISBN Additional Links UA library record; http://cmt.ua.ac.be/hsahin/publishedpapers/46.pdf; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 11 Open Access
Notes ; ; Approved Most recent IF: 7.367; 2015 IF: 7.394
Call Number UA @ lucian @ c:irua:129434 Serial 4175
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Author Liao, Z.L.; Green, R.J.; Gauquelin, N.; Gonnissen, J.; Van Aert, S.; Verbeeck, J.; et al.
Title Engineering properties by long range symmetry propagation initiated at perovskite heterostructure interface Type A1 Journal article
Year 2016 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater
Volume Issue Pages 1-25
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In epitaxial thin film systems, the crystal structure and its symmetry deviate from the bulk counterpart due to various mechanisms such as epitaxial strain and interfacial structural coupling, which induce an accompanying change in their properties. In perovskite materials, the crystal symmetry can be described by rotations of 6-fold coordinated transition metal oxygen octahedra, which are found to be altered at interfaces. Here, we unravel how the local oxygen octahedral coupling (OOC) at perovskite heterostructural interfaces initiates a different symmetry in epitaxial films and provide design rules to induce various symmetries in thin films by careful selecting appropriate combinations of substrate/buffer/film. Very interestingly we discovered that these combinations lead to symmetry changes throughout the full thickness of the film. Our results provide a deep insight into understanding the origin of induced crystal symmetry in a perovskite heterostructure and an intelligent route to achieve unique functional properties.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Weinheim Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1616-301x ISBN Additional Links UA library record
Impact Factor 12.124 Times cited Open Access
Notes Approved Most recent IF: 12.124
Call Number UA @ lucian @ c:irua:134842 Serial 4176
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Author Ao, Z.; Jiang, Q.; Li, S.; Liu, H.; Peeters, F.M.; Li, S.; Wang, G.
Title Enhancement of the stability of fluorine atoms on defective graphene and at graphene/fluorographene interface Type A1 Journal article
Year 2015 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter
Volume 7 Issue 7 Pages 19659-19665
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Fluorinated graphene is one of the most important derivatives of graphene and has been found to have great potential in optoelectronic and photonic nanodevices. However, the stability of F atoms on fluorinated graphene under different conditions, which is essential to maintain the desired properties of fluorinated graphene, is still unclear. In this work, we investigate the diffusion of F atoms on pristine graphene, graphene with defects, and at graphene/fluorographene interfaces by using density functional theory calculations. We find that an isolated F atom diffuses easily on graphene, but those F atoms can be localized by inducing vacancies or absorbates in graphene and by creating graphene/fluorographene interfaces, which would strengthen the binding energy of F atoms on graphene and increase the diffusion energy barrier of F atoms remarkably.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Editor
Language Wos 000361252400018 Publication Date 2015-08-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.504 Times cited 35 Open Access
Notes ; We acknowledge the financial supports from the Chancellor's Research Fellowship Program of the University of Technology Sydney, the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish Government. This research was also supported by the National Computational Infrastructure (NCI) through the merit allocation scheme and used the NCI resources and facilities in Canberra, Australia. ; Approved Most recent IF: 7.504; 2015 IF: 6.723
Call Number UA @ lucian @ c:irua:128703 Serial 4177
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Author Lebedev, O.I.; Turner, S.; Caignaert, V.; Cherepanov, V.A.; Raveau, B.
Title Exceptional layered ordering of cobalt and iron in perovskites Type A1 Journal article
Year 2016 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 28 Issue 28 Pages 2907-2911
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher (up) Place of Publication Editor
Language Wos 000375810400005 Publication Date 2016-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 4 Open Access
Notes Approved Most recent IF: 9.466
Call Number UA @ lucian @ c:irua:133640 Serial 4178
Permanent link to this record
 
 
Author Cai, H.; Kang, J.; Sahin, H.; Chen, B.; Suslu, A.; Wu, K.; Peeters, F.; Meng, X.; Tongay, S.
Title Exciton pumping across type-I gallium chalcogenide heterojunctions Type A1 Journal article
Year 2016 Publication Nanotechnology Abbreviated Journal Nanotechnology
Volume 27 Issue 27 Pages 065203
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Quasi-two-dimensional gallium chalcogenide heterostructures are created by transferring exfoliated few-layer GaSe onto bulk GaTe sheets. Luminescence spectroscopy measurements reveal that the light emission from underlying GaTe layers drastically increases on heterojunction regions where GaSe layers make contact with the GaTe. Density functional theory (DFT) and band offset calculations show that conduction band minimum (CBM) (valance band maximum (VBM)) values of GaSe are higher (lower) in energy compared to GaTe, forming type-I band alignment at the interface. Consequently, GaSe layers provide photo-excited electrons and holes to GaTe sheets through relatively large built-in potential at the interface, increasing overall exciton population and light emission from GaTe. Observed results are not specific to the GaSe/GaTe system but observed on GaS/GaSe heterolayers with type-I band alignment. Observed experimental findings and theoretical studies provide unique insights into interface effects across dissimilar gallium chalcogenides and offer new ways to boost optical performance by simple epitaxial coating.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Bristol Editor
Language Wos 000368897100008 Publication Date 2016-01-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.44 Times cited 15 Open Access
Notes ; This work was supported by the Arizona State University seeding program, the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. HS is supported by a FWO Pegasus Long Marie Curie Fellowship. JK is supported by a FWO Pegasus-short Marie Curie Fellowship. We acknowledge the use of the John M Cowley Center for High Resolution Electron Microscopy at Arizona State University. The authors thank Anupum Pant for useful discussions. We gratefully acknowledge the use of the facilities at the LeRoy Eyring Center for Solid State Science at Arizona State University. S Tongay acknowledges support from DMR-1552220. ; Approved Most recent IF: 3.44
Call Number UA @ lucian @ c:irua:131570 Serial 4179
Permanent link to this record
 
 
Author Guzzinati, G.
Title Exploring electron beam shaping in transmission electron microscopy Type Doctoral thesis
Year 2015 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
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:130499 Serial 4180
Permanent link to this record
 
 
Author Çakir, D.; Peeters, F.M.
Title Fluorographane : a promising material for bipolar doping of MoS2 Type A1 Journal article
Year 2015 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 17 Issue 17 Pages 27636-27641
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using first principles calculations we investigate the structural and electronic properties of interfaces between fluorographane and MoS2. Unsymmetrical functionalization of graphene with H and F results in an intrinsic dipole moment perpendicular to the plane of the buckled graphene skeleton. Depending on the orientation of this dipole moment, the electronic properties of a physically absorbed MoS2 monolayer can be switched from n-to p-type or vice versa. We show that one can realize vanishing n-type/p-type Schottky barrier heights when contacting MoS2 to fluorographane. By applying a perpendicular electric field, the size of the Schottky barrier and the degree of doping can be tuned. Our calculations indicate that a fluorographane monolayer is a promising candidate for bipolar doping of MoS2, which is vital in the design of novel technological applications based on two-dimensional materials.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Cambridge Editor
Language Wos 000363193800043 Publication Date 2015-09-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 7 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. ; Approved Most recent IF: 4.123; 2015 IF: 4.493
Call Number UA @ lucian @ c:irua:129477 Serial 4182
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Author Calizzi, M.; Venturi, F.; Ponthieu, M.; Cuevas, F.; Morandi, V.; Perkisas, T.; Bals, S.; Pasquini, L.
Title Gas-phase synthesis of Mg-Ti nanoparticles for solid-state hydrogen storage Type A1 Journal article
Year 2016 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 18 Issue 18 Pages 141-148
Keywords A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT)
Abstract Mg-Ti nanostructured samples with different Ti contents were prepared via compaction of nanoparticles grown by inert gas condensation with independent Mg and Ti vapour sources. The growth set-up offered the option to perform in situ hydrogen absorption before compaction. Structural and morphological characterisation was carried out by X-ray diffraction, energy dispersive spectroscopy and electron microscopy. The formation of an extended metastable solid solution of Ti in hcp Mg was detected up to 15 at% Ti in the as-grown nanoparticles, while after in situ hydrogen absorption, phase separation between MgH2 and TiH2 was observed. At a Ti content of 22 at%, a metastable Mg-Ti-H fcc phase was observed after in situ hydrogen absorption. The co-evaporation of Mg and Ti inhibited nanoparticle coalescence and crystallite growth in comparison with the evaporation of Mg only. In situ hydrogen absorption was beneficial to subsequent hydrogen behaviour, studied by high pressure differential scanning calorimetry and isothermal kinetics. A transformed fraction of 90% was reached within 100 s at 300 degrees C during both hydrogen absorption and desorption. The enthalpy of hydride formation was not observed to differ from bulk MgH2.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Cambridge Editor
Language Wos 000368755500014 Publication Date 2015-11-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 31 Open Access Not_Open_Access
Notes ; Part of this work was supported by the COST Action MP1103 “Nanostructured materials for solid-state hydrogen storage”. ; Approved Most recent IF: 4.123
Call Number UA @ lucian @ c:irua:131589 Serial 4184
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Author Sivek, J.; Sahin, H.; Partoens, B.; Peeters, F.M.
Title Giant magnetic anisotropy in doped single layer molybdenum disulfide and fluorographene Type A1 Journal article
Year 2016 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 28 Issue 28 Pages 195301
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Stable monolayer materials based on existing, well known and stable two-dimensional crystal fluorographene and molybdenum disulfide are predicted to exhibit a huge magnetocrystalline anisotropy when functionalized with adsorbed transition metal atoms at vacant sides. Ab initio calculations within the density-functional theory formalism were performed to investigate the adsorption of the transitional metals in a single S (or F) vacancy of monolayer molybdenum disulfide (or fluorographene). We found strong bonding of the transitional metal atoms to the vacant sites with binding energies ranging from 2.5 to 5.2 eV. Our calculations revealed that these systems with adsorbed metal atoms exhibit a magnetic anisotropy, specifically the structures including Os and Ir show a giant magnetocrystalline anisotropy energy of 31-101 meV. Our results demonstrate the possibility of obtaining stable monolayer materials with huge magnetocrystalline anisotropy based on preexisting, well known and stable two-dimensional crystals: fluorographene and molybdenum disulfide. We believe that the results obtained here are useful not only for deeper understanding of the origin of magnetocrystalline anisotropy but also for the design of monolayer optoelectronic devices with novel functionalities.
Address
Corporate Author Thesis
Publisher (up) Place of Publication London Editor
Language Wos 000374394700007 Publication Date 2016-04-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 7 Open Access
Notes Approved Most recent IF: 2.649
Call Number UA @ lucian @ c:irua:133611 Serial 4185
Permanent link to this record
 
 
Author Li, M.R.; Retuerto, M.; Deng, Z.; Stephens, P.W.; Croft, M.; Huang, Q.; Wu, H.; Deng, X.; Kotliar, G.; Sánchez-Benítez, J.; Hadermann, J.; Walker, D.; Greenblatt, M.;
Title Giant magnetoresistance in the half-metallic double-perovskite ferrimagnet Mn2FeReO6 Type A1 Journal article
Year 2015 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
Volume 54 Issue 54 Pages 12069-12073
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The first transition-metal-only double perovskite compound, Mn2+ Fe-2(3+) Re5+ O-6, with 17 unpaired d electrons displays ferrimagnetic ordering up to 520K and a giant positive magnetoresistance of up to 220% at 5K and 8 T. These properties result from the ferrimagnetically coupled Fe and Re sublattice and are affected by a two-to-one magnetic-structure transition of the Mn sublattice when a magnetic field is applied. Theoretical calculations indicate that the half-metallic state can be mainly attributed to the spin polarization of the Fe and Re sites.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Weinheim Editor
Language Wos 000363396000031 Publication Date 2015-08-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.994 Times cited Open Access
Notes Approved Most recent IF: 11.994; 2015 IF: 11.261
Call Number UA @ lucian @ c:irua:129457 Serial 4186
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Author Peymanirad, F.; Neek Amal, M.; Beheshtian, J.; Peeters, F.M.
Title Graphene-silicene bilayer : a nanocapacitor with permanent dipole and piezoelectricity effect Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 92 Issue 92 Pages 155113
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using density functional theory, we study the electronic properties of a graphene-silicene bilayer (GSB). A single layer of silicene binds to the graphene layer with adhesion energy of about 25 meV/atom. This adhesion energy between the two layers follows accurately the well-known -1/z(2) dispersion energy as found between two infinite parallel plates. In small flakes of GSB with hydrogenated edges, negative charge is transferred from the graphene layer to the silicene layer, producing a permanent and a switchable polar bilayer, while in an infinite GSB, the negative charge is transferred from the silicene layer to the graphene layer. The graphene-silicene bilayer is a good candidate for a nanocapacitor with piezoelectric capabilities. We found that the permanent dipole of the bilayer can be tuned by an external perpendicular electric field.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Lancaster, Pa Editor
Language Wos 000362493400002 Publication Date 2015-10-09
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 17 Open Access
Notes Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number UA @ lucian @ c:irua:128762 Serial 4188
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Author Kang, J.; Horzum, S.; Peeters, F.M.
Title Heterostructures of graphene and nitrogenated holey graphene: Moire pattern and Dirac ring Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 92 Issue 92 Pages 195419
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Nitrogenated holey graphene (NHG) is a recently synthesized two-dimensional material. In this paper the structural and electronic properties of heterostructures of graphene and NHG are investigated using first-principles and tight-binding calculations. Due to the lattice mismatch between NHG and graphene, the formation of a moire pattern is preferred in the graphene/NHG heterostructure, instead of a lattice-coherent structure. In moire-patterned graphene/NHG, the band gap opening at the K point is negligible, and the linear band dispersion of graphene survives. Applying an electric field modifies the coupling strength between the two atomic layers. The Fermi velocity upsilon(F) is reduced as compared to the one of pristine graphene, and its magnitude depends on the twist angle theta between graphene and NHG: For theta = 0 degrees, upsilon(F) is 30% of that of graphene, and it increases rapidly to a value of 80% with increasing theta. The heterostructure exhibits electron-hole asymmetry in upsilon(F), which is large for small theta. In NHG encapsulated between two graphene layers, a “Dirac ring” appears around the K point. Its presence is robust with respect to the relative stacking of the two graphene layers. These findings can be useful for future applications of graphene/NHG heterostructures.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Lancaster, Pa Editor
Language Wos 000364998000006 Publication Date 2015-11-19
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 33 Open Access
Notes Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number UA @ lucian @ c:irua:130266 Serial 4189
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Author da Costa; Zarenia, M.; Chaves, A.; Pereira, J.M., Jr.; Farias, G.A.; Peeters, F.M.
Title Hexagonal-shaped monolayer-bilayer quantum disks in graphene : a tight-binding approach Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 94 Issue 94 Pages 035415
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the tight-binding approach, we investigate confined states in two different hybrid monolayer-bilayer systems: (i) a hexagonal monolayer area surrounded by bilayer graphene in the presence of a perpendicularly applied electric field and (ii) a hexagonal bilayer graphene dot surrounded by monolayer graphene. The dependence of the energy levels on dot size and external magnetic field is calculated. We find that the energy spectrum for quantum dots with zigzag edges consists of states inside the gap which range from dot-localized states, edge states, to mixed states coexisting together, whereas for dots with armchair edges, only dot-localized states are observed.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Editor
Language Wos 000379502200008 Publication Date 2016-07-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 11 Open Access
Notes ; This work was financially supported by CNPq, under contract NanoBioEstruturas No. 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation, under the process No. BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the Bilateral programme between CNPq and FWO-Vl, the Brazilian Program Science Without Borders (CsF), and the Lemann Foundation. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:134947 Serial 4190
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Author Neubert, S.; Mitoraj, D.; Shevlin, S.A.; Pulisova, P.; Heimann, M.; Du, Y.; Goh, G.K.L.; Pacia, M.; Kruczała, K.; Turner, S.; Macyk, W.; Guo, Z.X.; Hocking, R.K.; Beranek, R.;
Title Highly efficient rutile TiO2 photocatalysts with single Cu(II) and Fe(III) surface catalytic sites Type A1 Journal article
Year 2016 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A
Volume 4 Issue 4 Pages 3127-3138
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Highly active photocatalysts were obtained by impregnation of nanocrystalline rutile TiO2 powders with small amounts of Cu(II) and Fe(III) ions, resulting in the enhancement of initial rates of photocatalytic degradation of 4-chlorophenol in water by factors of 7 and 4, compared to pristine rutile, respectively. Detailed structural analysis by EPR and X-ray absorption spectroscopy (EXAFS) revealed that Cu(II) and Fe(III) are present as single species on the rutile surface. The mechanism of the photoactivity enhancement was elucidated by a combination of DFT calculations and detailed experimental mechanistic studies including photoluminescence measurements, photocatalytic experiments using scavengers, OH radical detection, and photopotential transient measurements. The results demonstrate that the single Cu(II) and Fe(III) ions act as effective cocatalytic sites, enhancing the charge separation, catalyzing “dark” redox reactions at the interface, thus improving the normally very low quantum yields of UV light-activated TiO2 photocatalysts. The exact mechanism of the photoactivity enhancement differs depending on the nature of the cocatalyst. Cu(II)-decorated samples exhibit fast transfer of photogenerated electrons to Cu(II/I) sites, followed by enhanced catalysis of dioxygen reduction, resulting in improved charge separation and higher photocatalytic degradation rates. At Fe(III)-modified rutile the rate of dioxygen reduction is not improved and the photocatalytic enhancement is attributed to higher production of highly oxidizing hydroxyl radicals produced by alternative oxygen reduction pathways opened by the presence of catalytic Fe(III/II) sites. Importantly, it was demonstrated that excessive heat treatment (at 450 degrees C) of photocatalysts leads to loss of activity due to migration of Cu(II) and Fe(III) ions from TiO2 surface to the bulk, accompanied by formation of oxygen vacancies. The demonstrated variety of mechanisms of photoactivity enhancement at single site catalyst-modified photocatalysts holds promise for developing further tailored photocatalysts for various applications.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Cambridge Editor
Language Wos 000371077300040 Publication Date 2015-12-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.867 Times cited 44 Open Access
Notes Approved Most recent IF: 8.867
Call Number UA @ lucian @ c:irua:132322 Serial 4191
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Author Roesler, C.; Aijaz, A.; Turner, S.; Filippousi, M.; Shahabi, A.; Xia, W.; Van Tendeloo, G.; Muhler, M.; Fischer, R.A.
Title Hollow Zn/Co Zeolitic Imidazolate Framework (ZIF) and Yolk-Shell Metal@Zn/Co ZIF nanostructures Type A1 Journal article
Year 2016 Publication Chemistry: a European journal Abbreviated Journal Chem-Eur J
Volume 22 Issue 22 Pages 3304-3311
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Metal-organic frameworks (MOFs) feature a great possibility for a broad spectrum of applications. Hollow MOF structures with tunable porosity and multifunctionality at the nanoscale with beneficial properties are desired as hosts for catalytically active species. Herein, we demonstrate the formation of well-defined hollow Zn/Co-based zeolitic imidazolate frameworks (ZIFs) by use of epitaxial growth of Zn-MOF (ZIF-8) on preformed Co-MOF (ZIF-67) nanocrystals that involve in situ self-sacrifice/excavation of the Co-MOF. Moreover, any type of metal nanoparticles can be accommodated in Zn/Co-ZIF shells to generate yolk-shell metal@ZIF structures. Transmission electron microscopy and tomography studies revealed the inclusion of these nanoparticles within hollow Zn/Co-ZIF with dominance of the Zn-MOF as shell. Our findings lead to a generalization of such hollow systems that are working effectively to other types of ZIFs.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Weinheim Editor
Language Wos 000371419200001 Publication Date 2016-01-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0947-6539 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.317 Times cited 43 Open Access
Notes Approved Most recent IF: 5.317
Call Number UA @ lucian @ c:irua:132347 Serial 4192
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Author Felgen, N.; Naydenov, B.; Turner, S.; Jelezko, F.; Reithmaier, J.P.; Popov, C.
Title Incorporation and study of SiV centers in diamond nanopillars Type A1 Journal article
Year 2016 Publication Diamond and related materials Abbreviated Journal Diam Relat Mater
Volume 64 Issue 64 Pages 64-69
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We report on the incorporation of SiV centers during hot filament chemical vapor deposition of diamond on top of diamond nanopillars with diameters down to 100 nm. The nanopillars themselves were prepared from nano crystalline diamond films by applying electron beam lithography and inductively coupled plasma reactive ion etching. The optical investigations revealed the presence of ensembles of SiV color centers incorporated during the overgrowth step. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Amsterdam Editor
Language Wos 000374608100009 Publication Date 2016-01-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-9635 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.561 Times cited 14 Open Access
Notes Approved Most recent IF: 2.561
Call Number UA @ lucian @ c:irua:133623 Serial 4193
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Author Gjorgievska, E.; Van Tendeloo, G.; Nicholson, J.W.; Coleman, N.J.; Slipper, I.J.; Booth, S.
Title The incorporation of nanoparticles into conventional glass-ionomer dental restorative cements Type A1 Journal article
Year 2015 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
Volume 21 Issue 21 Pages 392-406
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Conventional glass-ionomer cements (GICs) are popular restorative materials, but their use is limited by their relatively low mechanical strength. This paper reports an attempt to improve these materials by incorporation of 10 wt% of three different types of nanoparticles, aluminum oxide, zirconium oxide, and titanium dioxide, into two commercial GICs (ChemFil((R)) Rock and EQUIA (TM) Fil). The results indicate that the nanoparticles readily dispersed into the cement matrix by hand mixing and reduced the porosity of set cements by filling the empty spaces between the glass particles. Both cements showed no significant difference in compressive strength with added alumina, and ChemFil((R)) Rock also showed no significant difference with zirconia. By contrast, ChemFil((R)) Rock showed significantly higher compressive strength with added titania, and EQUIA (TM) Fil showed significantly higher compressive strength with both zirconia and titania. Fewer air voids were observed in all nanoparticle-containing cements and this, in turn, reduced the development of cracks within the matrix of the cements. These changes in microstructure provide a likely reason for the observed increases in compressive strength, and overall the addition of nanoparticles appears to be a promising strategy for improving the physical properties of GICs.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Cambridge, Mass. Editor
Language Wos 000353514700014 Publication Date 2015-02-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1431-9276 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.891 Times cited 15 Open Access
Notes Approved Most recent IF: 1.891; 2015 IF: 1.877
Call Number UA @ lucian @ c:irua:132523 Serial 4194
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Author Van Havenbergh, K.
Title Influence of silicon nanoparticle coating on the electrolyte decomposition in Li-ion batteries Type Doctoral thesis
Year 2015 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
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:131647 Serial 4196
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Author Zhang, B.; Dugas, R.; Rousse, G.; Rozier, P.; Abakumov, A.M.; Tarascon, J.-M.
Title Insertion compounds and composites made by ball milling for advanced sodium-ion batteries Type A1 Journal article
Year 2016 Publication Nature communications Abbreviated Journal Nat Commun
Volume 7 Issue 7 Pages 10308
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Sodium-ion batteries have been considered as potential candidates for stationary energy storage because of the low cost and wide availability of Na sources. However, their future commercialization depends critically on control over the solid electrolyte interface formation, as well as the degree of sodiation at the positive electrode. Here we report an easily scalable ball milling approach, which relies on the use of metallic sodium, to prepare a variety of sodium-based alloys, insertion layered oxides and polyanionic compounds having sodium in excess such as the Na4V2(PO4)(2)F-3 phase. The practical benefits of preparing sodium-enriched positive electrodes as reservoirs to compensate for sodium loss during solid electrolyte interphase formation are demonstrated by assembling full C/P'2-Na-1[Fe0.5Mn0.5]O-2 and C/'Na3+xV2(PO4)(2)F-3' sodium-ion cells that show substantial increases (>10%) in energy storage density. Our findings may offer electrode design principles for accelerating the development of the sodium-ion technology.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Editor
Language Wos 000369021400002 Publication Date 2016-01-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.124 Times cited 104 Open Access
Notes Approved Most recent IF: 12.124
Call Number UA @ lucian @ c:irua:131599 Serial 4197
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Author O'Sullivan, M.; Hadermann, J.; Dyer, M.S.; Turner, S.; Alaria, J.; Manning, T.D.; Abakumov, A.M.; Claridge, J.B.; Rosseinsky, M.J.
Title Interface control by chemical and dimensional matching in an oxide heterostructure Type A1 Journal article
Year 2016 Publication Nature chemistry Abbreviated Journal Nat Chem
Volume 8 Issue 8 Pages 347-353
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Interfaces between different materials underpin both new scientific phenomena, such as the emergent behaviour at oxide interfaces, and key technologies, such as that of the transistor. Control of the interfaces between materials with the same crystal structures but different chemical compositions is possible in many materials classes, but less progress has been made for oxide materials with different crystal structures. We show that dynamical self-organization during growth can create a coherent interface between the perovskite and fluorite oxide structures, which are based on different structural motifs, if an appropriate choice of cations is made to enable this restructuring. The integration of calculation with experimental observation reveals that the interface differs from both the bulk components and identifies the chemical bonding requirements to connect distinct oxide structures.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Editor
Language Wos 000372505500013 Publication Date 2016-02-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1755-4330; 1755-4349 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 25.87 Times cited 28 Open Access
Notes Approved Most recent IF: 25.87
Call Number UA @ lucian @ c:irua:133189 Serial 4199
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Author Clima, S.; Chen, Y.Y.; Fantini, A.; Goux, L.; Degraeve, R.; Govoreanu, B.; Pourtois, G.; Jurczak, M.
Title Intrinsic tailing of resistive states distributions in amorphous <tex>HfOx </tex> and TaOx based resistive random access memories Type A1 Journal article
Year 2015 Publication IEEE electron device letters Abbreviated Journal Ieee Electr Device L
Volume 36 Issue 36 Pages 769-771
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We report on the ineffectiveness of programming oxide-based resistive random access memory (OxRAM) at low current with a program and verify algorithm due to intrinsic relaxation of the verified distribution to the natural state distribution obtained by single-pulse programming without verify process. Based on oxygen defect formation thermodynamics and on their diffusion barriers in amorphous HfOx and TaOx, we describe the intrinsic nature of tailing of the verified low resistive state and high resistive state distributions. We introduce different scenarios to explain fast distribution widening phenomenon, which is a fundamental limitation for OxRAM current scaling and device reliability.
Address
Corporate Author Thesis
Publisher (up) Place of Publication Editor
Language Wos 000358570300011 Publication Date 2015-06-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0741-3106 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.048 Times cited 33 Open Access
Notes Approved Most recent IF: 3.048; 2015 IF: 2.754
Call Number UA @ lucian @ c:irua:134412 Serial 4200
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