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Author (up) Rivera-Julio, J.; Gonzalez-Garcia, A.; Gonzalez-Hernandez, R.; Lopez-Perez, W.; Peeters, F.M.; Hernandez-Nieves, A.D.
Title Vibrational properties of germanane and fluorinated germanene in the chair, boat, and zigzag-line configurations Type A1 Journal article
Year 2019 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 31 Issue 7 Pages 075301
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electronic and vibrational properties of germanane and fluorinated germanene are studied within density functional theory (DFT) and density functional perturbation theory frameworks. Different structural configurations of germanane and fluorinated germanene are investigated. The energy difference between the different configurations are consistently smaller than the energy of thermal fluctuations for all the analyzed DFT functionals LDA, GGA, and hybrid functionals, which implies that, in principle, it is possible to find these different configurations in different regions of the sample as minority phases or local defects. We calculate the Raman and infrared spectra for these configurations by using ab initio calculations and compare it with available experimental spectra for germanane. Our results show the presence of minority phases compatible with the configurations analyzed in this work. As these low energy configurations are metastable the present work shows that the synthesis of these energy competing phases is feasible by selectively changing the synthesis conditions, which is an opportunity to expand in this way the availability of new two-dimensional compounds.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000454925400001 Publication Date 2018-11-27
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 9 Open Access
Notes ; We acknowledge financial support from PICT-2016-1087 from ANPCyT, PIP 2014-2016 00402 from CONICET and the Argentina-Belgium colaboration program SECYT-FWO FW/ 14/04. This work was also supported by Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712-Convocatoria para proyectos de investigacion en ciencias basicas ano 2015, Cod: 121571250192, Contrato 110-216. ; Approved Most recent IF: 2.649
Call Number UA @ admin @ c:irua:156708 Serial 5238
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Author (up) Schweigert, V.A.; Peeters, F.M.
Title Time dependent properties of classical artificial atoms Type A1 Journal article
Year 1998 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 10 Issue Pages 2417-2435
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000072951000006 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 18 Open Access
Notes Approved Most recent IF: 2.649; 1998 IF: 1.645
Call Number UA @ lucian @ c:irua:24175 Serial 3665
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Author (up) Sena, S.H.R.; Pereira, J.M.; Farias, G.A.; Peeters, F.M.; Costa Filho, R.N.
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 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
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Author (up) Simchi, H.; Simchi, M.; Fardmanesh, M.; Peeters, F.M.
Title Phase transition and field effect topological quantum transistor made of monolayer MoS2 Type A1 Journal article
Year 2018 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 30 Issue 23 Pages 235303
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study topological phase transitions and topological quantum field effect transistor in monolayer molybdenum disulfide (MoS2) using a two-band Hamiltonian model. Without considering the quadratic (q(2)) diagonal term in the Hamiltonian, we show that the phase diagram includes quantum anomalous Hall effect, quantum spin Hall effect, and spin quantum anomalous Hall effect regions such that the topological Kirchhoff law is satisfied in the plane. By considering the q(2) diagonal term and including one valley, it is shown that MoS2 has a non-trivial topology, and the valley Chern number is non-zero for each spin. We show that the wave function is (is not) localized at the edges when the q(2) diagonal term is added (deleted) to (from) the spin-valley Dirac mass equation. We calculate the quantum conductance of zigzag MoS2 nanoribbons by using the nonequilibrium Green function method and show how this device works as a field effect topological quantum transistor.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000432821600001 Publication Date 2018-04-26
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 2 Open Access
Notes ; ; Approved Most recent IF: 2.649
Call Number UA @ lucian @ c:irua:151457UA @ admin @ c:irua:151457 Serial 5035
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Author (up) Singh, K.; Maignan, A.; Simon, C.; Kumar, S.; Martin, C.; Lebedev, O.; Turner, S.; Van Tendeloo, G.
Title Magnetodielectric CuCr0.5V0.5O2 : an example of a magnetic and dielectric multiglass Type A1 Journal article
Year 2012 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 24 Issue 22 Pages 226002-226002,4
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The complex dielectric susceptibility and spin glass properties of polycrystalline CuCr0.5V 0.5O2 delafossite have been investigated. Electron diffraction, high resolution electron microscopy and electron energy loss spectroscopy show that the Cr3+ and V 3+ magnetic cations are randomly distributed on the triangular network of CdI2-type layers. In contrast to CuCrO2, CuCr0.5V 0.5O2 exhibits two distinctive (magnetic and electric) glassy states evidenced by memory effects in electric and magnetic susceptibilities. A large magnetodielectric coupling is observed at low temperature.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000304873300027 Publication Date 2012-05-02
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 19 Open Access
Notes Approved Most recent IF: 2.649; 2012 IF: 2.355
Call Number UA @ lucian @ c:irua:98380 Serial 1916
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Author (up) 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 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
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Author (up) Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M.
Title Exciton states in cylindrical nanowires Type A1 Journal article
Year 2006 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 18 Issue 16 Pages 3951-3966
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000237749000013 Publication Date 2006-04-04
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 27 Open Access
Notes Approved Most recent IF: 2.649; 2006 IF: 2.038
Call Number UA @ lucian @ c:irua:59473 Serial 1118
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Author (up) Souza, J.C.B.; Vizarim, N.P.; Reichhardt, C.J.O.; Reichhardt, C.; Venegas, P.A.
Title Magnus induced diode effect for skyrmions in channels with periodic potentials Type A1 Journal article
Year 2023 Publication Journal of physics : condensed matter Abbreviated Journal
Volume 35 Issue 1 Pages 015804-15810
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using a particle based model, we investigate the skyrmion dynamical behavior in a channel where the upper wall contains divots of one depth and the lower wall contains divots of a different depth. Under an applied driving force, skyrmions in the channels move with a finite skyrmion Hall angle that deflects them toward the upper wall for -x direction driving and the lower wall for +x direction driving. When the upper divots have zero height, the skyrmions are deflected against the flat upper wall for -x direction driving and the skyrmion velocity depends linearly on the drive. For +x direction driving, the skyrmions are pushed against the lower divots and become trapped, giving reduced velocities and a nonlinear velocity-force response. When there are shallow divots on the upper wall and deep divots on the lower wall, skyrmions get trapped for both driving directions; however, due to the divot depth difference, skyrmions move more easily under -x direction driving, and become strongly trapped for +x direction driving. The preferred -x direction motion produces what we call a Magnus diode effect since it vanishes in the limit of zero Magnus force, unlike the diode effects observed for asymmetric sawtooth potentials. We show that the transport curves can exhibit a series of jumps or dips, negative differential conductivity, and reentrant pinning due to collective trapping events. We also discuss how our results relate to recent continuum modeling on a similar skyrmion diode system.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000880827900001 Publication Date 2022-10-22
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 2.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.7; 2023 IF: 2.649
Call Number UA @ admin @ c:irua:192031 Serial 7320
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Author (up) Szaszko-Bogar, V.; Foeldi, P.; Peeters, F.M.
Title Oscillating spin-orbit interaction as a source of spin-polarized wavepackets in two-terminal nanoscale devices Type A1 Journal article
Year 2014 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 26 Issue 13 Pages 135302
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Ballistic transport through nanoscale devices with time-dependent Rashba-type spin- orbit interaction (SOI) can lead to spin-polarized wavepackets that appear even for completely unpolarized input. The SOI that oscillates in a finite domain generates density and spin polarization fluctuations that leave the region as propagating waves. In particular, spin polarization has space and time dependence even in regions without SOI. Our results are based on an analytical solution of the time-dependent Schrodinger equation. The relevant Floquet quasi-energies that are obtained appear in the energy spectrum of both the transmitted and the reflected waves.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos Publication Date 0000-00-00
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 Open Access
Notes Approved Most recent IF: 2.649; 2014 IF: 2.346
Call Number UA @ lucian @ c:irua:116844 Serial 2533
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Author (up) Tadić, M.; Peeters, F.M.
Title Exciton states and oscillator strength in two vertically coupled InP/InGaP quantum discs Type A1 Journal article
Year 2004 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 16 Issue 47 Pages 8633-8652
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Quantum mechanical coupling and strain in two vertically arranged InP/InGaP quantum dots is studied as a function of the size of the dots and the spacer thickness. The strain distribution is determined by the continuum mechanical model, while the single-band effective-mass equation and the multiband k (.) p theory are employed to compute the conduction and valence band energy levels, respectively. The exciton states are obtained from an exact diagonalization approach, and we also compute the oscillator strength for recombination. We found that the light holes are confined by strain to the spacer, which is the reason that the hole states exhibit coupling at much larger distances as compared with the electrons. At small d, the doublet structure of the hole energy levels arises as a consequence of the relocation of the light hole from the matrix to the regions located-outside the stack, close to the dot-matrix interface. When d varies, the exciton ground state exhibits numerous anticrossings with other states, which are related to the changing spatial localization of the hole as a function of d. The oscillator strength of the exciton recombination is strongly reduced in a certain range of spacer thicknesses, which effectively turns a bright exciton state into a dark one. This effect is associated with anticrossings between exciton energy levels.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000225796800016 Publication Date 2004-11-13
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 13 Open Access
Notes Approved Most recent IF: 2.649; 2004 IF: 2.049
Call Number UA @ lucian @ c:irua:99315 Serial 1116
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Author (up) Titantah, J.T.; Lamoen, D.
Title The effect of temperature on the structural, electronic and optical properties of sp3-rich amorphous carbon Type A1 Journal article
Year 2008 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 20 Issue 3 Pages 035216,1-6
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The effect of temperature on the structural, electronic and optical properties of dense tetrahedral amorphous carbon made of similar to 80% sp(3)-bonded atoms is investigated using a combination of the classical Monte Carlo technique and density functional theory. A structural transformation accompanied by a slight decrease of the sp(3) fraction is evidenced above a temperature of about 600 degrees C. A structural analysis in combination with energy-loss near-edge structure calculations shows that beyond this temperature, the sp(2)-bonded C sites arrange themselves so as to enhance the conjugation of the p electrons. The Tauc optical band gap deduced from the calculated dielectric function shows major changes beyond this temperature in accordance with experimental results. Energy-loss near-edge structure and band gap calculations additionally reveal a massive destabilization of the of sp(3) bonding phase in favour of sp(2) bonding at a temperature of about 1300 degrees C which agrees very well with the reported value of 1100 degrees C.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000252922900026 Publication Date 2007-12-28
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 11 Open Access
Notes Approved Most recent IF: 2.649; 2008 IF: 1.900
Call Number UA @ lucian @ c:irua:67461 Serial 840
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Author (up) Titantah, J.T.; Lamoen, D.; Neyts, E.; Bogaerts, A.
Title The effect of hydrogen on the electronic and bonding properties of amorphous carbon Type A1 Journal article
Year 2006 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 18 Issue 48 Pages 10803-10815
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000242650600008 Publication Date 2006-11-18
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 13 Open Access
Notes Approved Most recent IF: 2.649; 2006 IF: 2.038
Call Number UA @ lucian @ c:irua:60468 Serial 816
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Author (up) Tomecka, D.M.; Kamieniarz, G.; Partoens, B.; Peeters, F.M.
Title Ground state configurations and melting of two-dimensional non-uniformly charged classical clusters Type A1 Journal article
Year 2009 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 21 Issue 15 Pages 155301,1-155301,7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We consider classical two-dimensional (2D) Coulomb clusters consisting of two species containing five particles with charge q1 and five with charge q2, respectively. Using Monte Carlo and molecular dynamics (MD) simulations, we investigated the ground state configurations as well as radial and angular displacements of particles as a function of temperature and their dependence on the ratio q = q2/q1. We found new configurations and a new multi-step melting behavior for q sufficiently different from the uniform charge limit q = 1.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000264708600007 Publication Date 2009-03-18
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 2 Open Access
Notes Approved Most recent IF: 2.649; 2009 IF: 1.964
Call Number UA @ lucian @ c:irua:76412 Serial 1384
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Author (up) Van Tendeloo, G.; Lebedev, O.I.; Collart, O.; Cool, P.; Vansant, E.F.
Title Structure of nanoscale mesoporous silica spheres? Type A1 Journal article
Year 2003 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 15 Issue Pages S3037-S3046
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos Publication Date 0000-00-00
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 Open Access
Notes Approved Most recent IF: 2.649; 2003 IF: 1.757
Call Number UA @ lucian @ c:irua:46265 Serial 3313
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Author (up) Vanherck, J.; Sorée, B.; Magnus, W.
Title Anisotropic bulk and planar Heisenberg ferromagnets in uniform, arbitrarily oriented magnetic fields Type A1 Journal article
Year 2018 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 30 Issue 27 Pages 275801
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Today, further downscaling of mobile electronic devices poses serious problems, such as energy consumption and local heat dissipation. In this context, spin wave majority gates made of very thin ferromagnetic films may offer a viable alternative. However, similar downscaling of magnetic thin films eventually enforces the latter to operate as quasi-2D magnets, the magnetic properties of which are not yet fully understood, especially those related to anisotropies and external magnetic fields in arbitrary directions. To this end, we have investigated the behaviour of an easy-plane and easy-axis anisotropic ferromagnet-both in two and three dimensions-subjected to a uniform magnetic field, applied along an arbitrary direction. In this paper, a spin-1/2 Heisenberg Hamiltonian with anisotropic exchange interactions is solved using double-time temperature-dependent Green's functions and the Tyablikov decoupling approximation. We determine various magnetic properties such as the Curie temperature and the magnetization as a function of temperature and the applied magnetic field, discussing the impact of the system's dimensionality and the type of anisotropy. The magnetic reorientation transition taking place in anisotropic Heisenberg ferromagnets is studied in detail. Importantly, spontaneous magnetization is found to be absent for easy-plane 2D spin systems with short range interactions.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000434980600001 Publication Date 2018-05-21
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 Open Access
Notes ; ; Approved Most recent IF: 2.649
Call Number UA @ lucian @ c:irua:151945UA @ admin @ c:irua:151945 Serial 5012
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Author (up) Varley, J.B.; Peelaers, H.; Janotti, A.; van de Walle, C.G.
Title Hydrogenated cation vacancies in semiconducting oxides Type A1 Journal article
Year 2011 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 23 Issue 33 Pages 334212,1-334212,9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using first-principles calculations we have studied the electronic and structural properties of cation vacancies and their complexes with hydrogen impurities in SnO2, In2O3 and β-Ga2O3. We find that cation vacancies have high formation energies in SnO2 and In2O3 even in the most favorable conditions. Their formation energies are significantly lower in β-Ga2O3. Cation vacancies, which are compensating acceptors, strongly interact with H impurities resulting in complexes with low formation energies and large binding energies, stable up to temperatures over 730 °C. Our results indicate that hydrogen has beneficial effects on the conductivity of transparent conducting oxides: it increases the carrier concentration by acting as a donor in the form of isolated interstitials, and by passivating compensating acceptors such as cation vacancies; in addition, it potentially enhances carrier mobility by reducing the charge of negatively charged scattering centers. We have also computed vibrational frequencies associated with the isolated and complexed hydrogen, to aid in the microscopic identification of centers observed by vibrational spectroscopy.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000294060600014 Publication Date 2011-08-04
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 125 Open Access
Notes ; We gratefully acknowledge useful discussions with M D Mc-Cluskey, O Bierwagen and J Speck. The work was supported by the NSF MRSEC Program (DMR05-20415), the Flemish Science Foundation (FWO-VI), the Belgian American Educational Foundation, and by Saint-Gobain Research, and made use of computing facilities at CNSI (NSF grant No. CHE-0321368), TeraGrid and TACC (NSF grant No. DMR070072N), and NERSC (DOE Office of Science Contract No. DE-AC02-05CH11231). ; Approved Most recent IF: 2.649; 2011 IF: 2.546
Call Number UA @ lucian @ c:irua:92415 Serial 1534
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Author (up) Wang, J.; Shin, Y.; Gauquelin, N.; Yang, Y.; Lee, C.; Jannis, D.; Verbeeck, J.; Rondinelli, J.M.; May, S.J.
Title Physical properties of epitaxial SrMnO2.5−δFγoxyfluoride films Type A1 Journal article
Year 2019 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 31 Issue 36 Pages 365602
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Recently, topotactic fluorination has become an alternative way of doping epitaxial perovskite oxides through anion substitution to engineer their electronic properties instead of the more commonly used cation substitution. In this work, epitaxial oxyfluoride SrMnO2.5−δ F γ films were synthesized via topotactic fluorination of SrMnO2.5 films using polytetrafluoroethylene as the fluorine source. Oxidized SrMnO3 films were also prepared for comparison with the fluorinated samples. The F content, probed by x-ray photoemission spectroscopy, was systematically controlled by adjusting fluorination conditions. Electronic transport measurements reveal that increased F content (up to γ  =  0.14) systematically increases the electrical resistivity, despite the nominal electron-doping induced by F substitution for O in these films. In contrast, oxidized SrMnO3 exhibits a decreased resistivity and conduction activation energy. A blue-shift of optical absorption features occurs with increasing F content. Density functional theory calculations indicate that F acts as a scattering center for electronic transport, controls the observed weak ferromagnetic behavior of the films, and reduces the inter-band optical transitions in the manganite films. These results stand in contrast to bulk electron-doped La1−x Ce x MnO3, illustrating how aliovalent anionic substitutions can yield physical behavior distinct from A-site substituted perovskites with the same nominal B-site oxidation states.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000472232000002 Publication Date 2019-09-11
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 5 Open Access
Notes Work at Drexel was supported by the National Science Foundation (NSF), grant number CMMI-1562223. Thin film synthesis utilized deposition instrumentation acquired through an Army Research Office DURIP grant (W911NF-14-1-0493). Y.S and J.M.R. were supported by NSF (Grant No. DMR-1454688). Calculations were performed using the QUEST HPC Facility at Northwestern, the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by NSF Grant No. ACI-1053575, and the Center for Nanoscale Materials (Carbon Cluster). Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. J.V. and N. G. acknowledge funding from a GOA project “Solarpaint” of the University of Antwerp. D.J. acknowledges funding from FWO project G093417N from the Flemish fund for scientific research. Approved Most recent IF: 2.649
Call Number EMAT @ emat @UA @ admin @ c:irua:161174 Serial 5293
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Author (up) Wang, S.; Tian, H.; Sun, M.
Title Valley-polarized and enhanced transmission in graphene with a smooth strain profile Type A1 Journal article
Year 2023 Publication Journal of physics : condensed matter Abbreviated Journal
Volume 35 Issue 30 Pages 304002-304013
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We explore the influence of strain on the valley-polarized transmission of graphene by employing the wave-function matching and the non-equilibrium Green's function technique. When the transmission is along the armchair direction, we show that the valley polarization and transmission can be improved by increasing the width of the strained region and increasing (decreasing) the extensional strain in the armchair (zigzag) direction. It is noted that the shear strain does not affect transmission and valley polarization. Furthermore, when we consider the smooth strain barrier, the valley-polarized transmission can be enhanced by increasing the smoothness of the strain barrier. We hope that our finding can shed new light on constructing graphene-based valleytronic and quantum computing devices by solely employing strain.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000977124700001 Publication Date 2023-04-11
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 2.7 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 2.7; 2023 IF: 2.649
Call Number UA @ admin @ c:irua:196718 Serial 8953
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Author (up) Xu, W.; Peeters, F.M.; Devreese, J.T.
Title Normal and hot electro-phonon resonance effect in a quasi-two-dimensional semiconductor system Type A1 Journal article
Year 1993 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 5 Issue 15 Pages 2307-2320
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract The electro-phonon resonance effect is a consequence of a resonant interaction between two electric subbands mediated by an optical phonon. It occurs in a quasi-two-dimensional electron system each time the energy difference between two electric subbands equals the energy of a Lo phonon. We study the influence of this effect on the electron mobility by using the momentum balance equation. The temperature and electron density dependences of the resonances are studied in the linear and non-linear response regimes.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1993KX70100004 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.346 Times cited 18 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:102984 Serial 2367
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Author (up) Xu, W.; Vasilopoulos, P.; Das, M.P.; Peeters, F.M.
Title The low-temperature self-consistent g factor for heterostructures in strong magnetic fields Type A1 Journal article
Year 1995 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 7 Issue Pages 4419-4432
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1995RC23600011 Publication Date 0000-00-00
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 2.346 Times cited 20 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:12196 Serial 1853
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Author (up) Zelaya, E.; Tolley, A.; Condo, A.M.; Schumacher, G.
Title Swift heavy ion irradiation of Cu-Zn-Al and Cu-Al-Ni alloys Type A1 Journal article
Year 2009 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 21 Issue 18 Pages 185009-185009,8
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The effects produced by swift heavy ions in the martensitic (18R) and austenitic phase (beta) of Cu based shape memory alloys were characterized. Single crystal samples with a surface normal close to [210](18R) and [001](beta) were irradiated with 200 MeV of Kr(15+), 230 MeV of Xe(15+), 350 and 600 MeV of Au(26+) and Au(29+). Changes in the microstructure were studied with transmission electron microscopy (TEM) and high resolution transmission electron microscopy (HRTEM). It was found that swift heavy ion irradiation induced nanometer sized defects in the 18R martensitic phase. In contrast, a hexagonal close-packed phase formed on the irradiated surface of beta phase samples. HRTEM images of the nanometer sized defects observed in the 18R martensitic phase were compared with computer simulated images in order to interpret the origin of the observed contrast. The best agreement was obtained when the defects were assumed to consist of local composition modulations.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000264934400014 Publication Date 2009-03-25
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 8 Open Access
Notes Approved Most recent IF: 2.649; 2009 IF: 1.964
Call Number UA @ lucian @ c:irua:94551 Serial 3399
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Author (up) Zhang, H.; Salje, E.K.H.; Schryvers, D.; Bartova, B.
Title The martensitic phase transition in Ni-Al: experimental observation of excess entropy and heterogeneous spontaneous strain Type A1 Journal article
Year 2008 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 20 Issue 5 Pages 055220,1-7
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000252923400023 Publication Date 2008-01-19
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 7 Open Access
Notes Multimat (MRTN-CT-2004-505226) Approved Most recent IF: 2.649; 2008 IF: 1.900
Call Number UA @ lucian @ c:irua:67710 Serial 1948
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