| Records |
| Author |
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 |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000454925400001 |
Publication Date |
2018-11-27 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| 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 |
| Permanent link to this record |
| |
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| |
| Author |
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 |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000472232000002 |
Publication Date |
2019-09-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| 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 |
| Permanent link to this record |
| |
|
| |
| Author |
Gonzalez-Garcia, A.; Lopez-Perez, W.; Gonzalez-Hernandez, R.; Rivera-Julio, J.; Espejo, C.; Milošević, M.V.; Peeters, F.M. |
| Title |
Two-dimensional hydrogenated buckled gallium arsenide: an ab initio study |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
32 |
Issue |
14 |
Pages |
145502 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
First-principles calculations have been carried out to investigate the stability, structural and electronic properties of two-dimensional (2D) hydrogenated GaAs with three possible geometries: chair, zigzag-line and boat configurations. The effect of van der Waals interactions on 2D H-GaAs systems has also been studied. These configurations were found to be energetic and dynamic stable, as well as having a semiconducting character. Although 2D GaAs adsorbed with H tends to form a zigzag-line configuration, the energy differences between chair, zigzag-line and boat are very small which implies the metastability of the system. Chair and boat configurations display a – direct bandgap nature, while pristine 2D-GaAs and zigzag-line are indirect semiconductors. The bandgap sizes of all configurations are also hydrogen dependent, and wider than that of pristine 2D-GaAs with both PBE and HSE functionals. Even though DFT-vdW interactions increase the adsorption energies and reduce the equilibrium distances of H-GaAs systems, it presents, qualitatively, the same physical results on the stability and electronic properties of our studied systems with PBE functional. According to our results, 2D buckled gallium arsenide is a good candidate to be synthesized by hydrogen surface passivation as its group III-V partners 2D buckled gallium nitride and boron nitride. The hydrogenation of 2D-GaAs tunes the bandgap of pristine 2D-GaAs, which makes it a potential candidate for optoelectronic applications in the blue and violet ranges of the visible electromagnetic spectrum. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000507894400001 |
Publication Date |
2019-12-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
2.7 |
Times cited |
2 |
Open Access |
|
| Notes |
; This work has been carried out by the financial support of 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. The authors gratefully acknowledge the support from the High Performance Computing core facility CalcUA and the TOPBOF project at the University of Antwerp, Belgium; and the computing time granted on the supercomputer Mogon at Johannes Gutenberg University Mainz (hpc.uni-mainz.de). ; |
Approved |
Most recent IF: 2.7; 2020 IF: 2.649 |
| Call Number |
UA @ admin @ c:irua:165644 |
Serial |
6330 |
| Permanent link to this record |
| |
|
| |
| Author |
Lebedev, N.; Stehno, M.; Rana, A.; Gauquelin, N.; Verbeeck, J.; Brinkman, A.; Aarts, J. |
| Title |
Inhomogeneous superconductivity and quasilinear magnetoresistance at amorphous LaTiO₃/SrTiO₃ interfaces |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
33 |
Issue |
5 |
Pages |
055001 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We have studied the transport properties of LaTiO3/SrTiO3 (LTO/STO) heterostructures. In spite of 2D growth observed in reflection high energy electron diffraction, transmission electron microscopy images revealed that the samples tend to amorphize. Still, we observe that the structures are conducting, and some of them exhibit high conductance and/or superconductivity. We established that conductivity arises mainly on the STO side of the interface, and shows all the signs of the two-dimensional electron gas usually observed at interfaces between STO and LTO or LaAlO3, including the presence of two electron bands and tunability with a gate voltage. Analysis of magnetoresistance (MR) and superconductivity indicates the presence of spatial fluctuations of the electronic properties in our samples. That can explain the observed quasilinear out-of-plane MR, as well as various features of the in-plane MR and the observed superconductivity. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000588209300001 |
Publication Date |
2020-10-14 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
|
Edition |
|
| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.7 |
Times cited |
1 |
Open Access |
OpenAccess |
| Notes |
; NL and JA gratefully acknowledge the financial support of the research program DESCO, which is financed by the Netherlands Organisation for Scientific Research (NWO). The authors thank J Jobst, S Smink, K Lahabi and G Koster for useful discussion. ; |
Approved |
Most recent IF: 2.7; 2020 IF: 2.649 |
| Call Number |
UA @ admin @ c:irua:173679 |
Serial |
6545 |
| Permanent link to this record |
| |
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| |
| Author |
Lavor, I.R.; da Costa, D.R.; Chaves, A.; Farias, G.A.; Macedo, R.; Peeters, F.M. |
| Title |
Magnetic field induced vortices in graphene quantum dots |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
32 |
Issue |
15 |
Pages |
155501 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The energy spectrum and local current patterns in graphene quantum dots (QD) are investigated for different geometries in the presence of an external perpendicular magnetic field. Our results demonstrate that, for specific geometries and edge configurations, the QD exhibits vortex and anti-vortex patterns in the local current density, in close analogy to the vortex patterns observed in the probability density current of semiconductor QD, as well as in the order parameter of mesoscopic superconductors. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000520149200001 |
Publication Date |
2019-12-20 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| 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 |
5 |
Open Access |
|
| Notes |
; This work was financially supported by the CAPES foundation and CNPq (Science Without Borders, PQ and FUNCAP/PRONEX programs). ; |
Approved |
Most recent IF: 2.7; 2020 IF: 2.649 |
| Call Number |
UA @ admin @ c:irua:167670 |
Serial |
6558 |
| Permanent link to this record |
| |
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| |
| Author |
Bafekry, A.; Akgenc, B.; Ghergherehchi, M.; Peeters, F.M. |
| Title |
Strain and electric field tuning of semi-metallic character WCrCO₂ MXenes with dual narrow band gap |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
32 |
Issue |
35 |
Pages |
355504-355508 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Motivated by the recent successful synthesis of double-M carbides, we investigate structural and electronic properties of WCrC and WCrCO2 monolayers and the effects of biaxial and out-of-plane strain and electric field using density functional theory. WCrC and WCrCO2 monolayers are found to be dynamically stable. WCrC is metallic and WCrCO2 display semi-metallic character with narrow band gap, which can be controlled by strain engineering and electric field. WCrCO2 monolayer exhibits a dual band gap which is preserved in the presence of an electric field. The band gap of WCrCO2 monolayer increases under uniaxial strain while it becomes metallic under tensile strain, resulting in an exotic 2D double semi-metallic behavior. Our results demonstrate that WCrCO2 is a new platform for the study of novel physical properties in two-dimensional Dirac materials and which may provide new opportunities to realize high-speed low-dissipation devices. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000539375800001 |
Publication Date |
2020-04-29 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
|
Edition |
|
| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.7 |
Times cited |
45 |
Open Access |
|
| Notes |
; This work was supported by the National Research Foundation of Korea(NRF) Grant funded by the Korea government(MSIT)(NRF-2017R1A2B2011989). In addition, this work was supported by the Flemish Science Foundation (FW0-Vl). ; |
Approved |
Most recent IF: 2.7; 2020 IF: 2.649 |
| Call Number |
UA @ admin @ c:irua:169756 |
Serial |
6616 |
| Permanent link to this record |
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| |
| Author |
Lavor, I.R.; da Costa, D.R.; Chaves, A.; Sena, S.H.R.; Farias, G.A.; Van Duppen, B.; Peeters, F.M. |
| Title |
Effect of zitterbewegung on the propagation of wave packets in ABC-stacked multilayer graphene : an analytical and computational approach |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
33 |
Issue |
9 |
Pages |
095503 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The time evolution of a low-energy two-dimensional Gaussian wave packet in ABC-stacked n-layer graphene (ABC-NLG) is investigated. Expectation values of the position (x, y) of center-of-mass and the total probability densities of the wave packet are calculated analytically using the Green's function method. These results are confirmed using an alternative numerical method based on the split-operator technique within the Dirac approach for ABC-NLG, which additionally allows to include external fields and potentials. The main features of the zitterbewegung (trembling motion) of wave packets in graphene are demonstrated and are found to depend not only on the wave packet width and initial pseudospin polarization, but also on the number of layers. Moreover, the analytical and numerical methods proposed here allow to investigate wave packet dynamics in graphene systems with an arbitrary number of layers and arbitrary potential landscapes. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000599465000001 |
Publication Date |
2020-11-25 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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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 |
OpenAccess |
| Notes |
; Discussions with D J P de Sousa and J M Pereira Jr are gratefully acknowledged. This work was financially supported by the Brazilian Council for Research (CNPq), under the PQ and PRONEX/FUNCAP programs, and by CAPES. One of us (BVD) is supported by the FWO-Vl. DRC is supported by CNPq Grant Nos. 310019/2018-4 and 437067/2018-1. ; |
Approved |
Most recent IF: 2.649 |
| Call Number |
UA @ admin @ c:irua:174953 |
Serial |
6687 |
| Permanent link to this record |
| |
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| |
| Author |
González-García, A.; López-Pérez, W.; González-Hernández, R.; Bacaksiz, C.; Šabani, D.; Milošević, M.V.; Peeters, F.M. |
| Title |
Transition-metal adatoms on 2D-GaAs: a route to chiral magnetic 2D materials by design |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
33 |
Issue |
14 |
Pages |
145803 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Using relativistic density-functional calculations, we examine the magneto-crystalline anisotropy and exchange properties of transition-metal atoms adsorbed on 2D-GaAs. We show that single Mn and Mo atom (Co and Os) strongly bind on 2D-GaAs, and induce local out-of-plane (in-plane) magnetic anisotropy. When a pair of TM atoms is adsorbed on 2D-GaAs in a close range from each other, magnetisation properties change (become tunable) with respect to concentrations and ordering of the adatoms. In all cases, we reveal presence of strong Dzyaloshinskii–Moriya interaction. These results indicate novel pathways towards two-dimensional chiral magnetic materials by design, tailored for desired applications in magneto-electronics. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000626453600001 |
Publication Date |
2021-04-07 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
|
Edition |
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| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
2.649 |
Times cited |
1 |
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 2.649 |
| Call Number |
CMT @ cmt @c:irua:177483 |
Serial |
6755 |
| Permanent link to this record |
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| Author |
Akgenc, B.; Sarikurt, S.; Yagmurcukardes, M.; Ersan, F. |
| Title |
Aluminum and lithium sulfur batteries : a review of recent progress and future directions |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
33 |
Issue |
25 |
Pages |
253002 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Advanced materials with various micro-/nanostructures have attracted plenty of attention for decades in energy storage devices such as rechargeable batteries (ion- or sulfur based batteries) and supercapacitors. To improve the electrochemical performance of batteries, it is uttermost important to develop advanced electrode materials. Moreover, the cathode material is also important that it restricts the efficiency and practical application of aluminum-ion batteries. Among the potential cathode materials, sulfur has become an important candidate material for aluminum-ion batteries cause of its considerable specific capacity. Two-dimensional materials are currently potential candidates as electrodes from lab-scale experiments to possible pragmatic theoretical studies. In this review, the fundamental principles, historical progress, latest developments, and major problems in Li-S and Al-S batteries are reviewed. Finally, future directions in terms of the experimental and theoretical applications have prospected. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000655281200001 |
Publication Date |
2021-04-22 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: 2.649 |
| Call Number |
UA @ admin @ c:irua:179034 |
Serial |
6971 |
| Permanent link to this record |
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| Author |
Sabzalipour, A.; Mir, M.; Zarenia, M.; Partoens, B. |
| Title |
Charge transport in magnetic topological ultra-thin films : the effect of structural inversion asymmetry |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
33 |
Issue |
32 |
Pages |
325702 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We study the effect of structural inversion asymmetry, induced by the presence of substrates or by external electric fields, on charge transport in magnetic topological ultra-thin films. We consider general orientations of the magnetic impurities. Our results are based on the Boltzmann formalism along with a modified relaxation time scheme. We show that the structural inversion asymmetry enhances the charge transport anisotropy induced by the magnetic impurities and when only one conduction subband contributes to the charge transport a dissipationless charge current is accessible. We demonstrate how a substrate or gate voltage can control the effect of the magnetic impurities on the charge transport, and how this depends on the orientation of the magnetic impurities. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000666698000001 |
Publication Date |
2021-05-28 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
1 |
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.649 |
| Call Number |
UA @ admin @ c:irua:179647 |
Serial |
6974 |
| Permanent link to this record |
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| |
| Author |
Duden, E.I.; Savaci, U.; Turan, S.; Sevik, C.; Demiroglu, I. |
| Title |
Intercalation of argon in honeycomb structures towards promising strategy for rechargeable Li-ion batteries |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
|
| Volume |
35 |
Issue |
8 |
Pages |
085301-85311 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
High-performance rechargeable batteries are becoming very important for high-end technologies with their ever increasing application areas. Hence, improving the performance of such batteries has become the main bottleneck to transferring high-end technologies to end users. In this study, we propose an argon intercalation strategy to enhance battery performance via engineering the interlayer spacing of honeycomb structures such as graphite, a common electrode material in lithium-ion batteries (LIBs). Herein, we systematically investigated the LIB performance of graphite and hexagonal boron nitride (h-BN) when argon atoms were sent into between their layers by using first-principles density-functional-theory calculations. Our results showed enhanced lithium binding for graphite and h-BN structures when argon atoms were intercalated. The increased interlayer space doubles the gravimetric lithium capacity for graphite, while the volumetric capacity also increased by around 20% even though the volume was also increased. The ab initio molecular dynamics simulations indicate the thermal stability of such graphite structures against any structural transformation and Li release. The nudged-elastic-band calculations showed that the migration energy barriers were drastically lowered, which promises fast charging capability for batteries containing graphite electrodes. Although a similar level of battery promise was not achieved for h-BN material, its enhanced battery capabilities by argon intercalation also support that the argon intercalation strategy can be a viable route to enhance such honeycomb battery electrodes. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000899825400001 |
Publication Date |
2022-12-05 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| 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:193399 |
Serial |
7313 |
| Permanent link to this record |
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| |
| Author |
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 |
| Permanent link to this record |
| |
|
| |
| Author |
Kocabas, T.; Cakir, D.; Sevik, C. |
| Title |
First-principles discovery of stable two-dimensional materials with high-level piezoelectric response |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
33 |
Issue |
11 |
Pages |
115705 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The rational design of two-dimensional (2D) piezoelectric materials has recently garnered great interest due to their increasing use in technological applications, including sensor technology, actuating devices, energy harvesting, and medical applications. Several materials possessing high piezoelectric response have been reported so far, but a high-throughput first-principles approach to estimate the piezoelectric potential of layered materials has not been performed yet. In this study, we systematically investigated the piezoelectric (e(11), d(11)) and elastic (C-11 and C-12) properties of 128 thermodynamically stable 2D semiconductor materials by employing first-principle methods. Our high-throughput approach demonstrates that the materials containing Group-V elements produce significantly high piezoelectric strain constants, d(11) > 40 pm V-1, and 49 of the materials considered have the e(11) coefficient higher than MoS2 insomuch as BrSSb has one of the largest d(11) with a value of 373.0 pm V-1. Moreover, we established a simple empirical model in order to estimate the d(11) coefficients by utilizing the relative ionic motion in the unit cell and the polarizability of the individual elements in the compounds. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000605852800001 |
Publication Date |
2020-12-15 |
| 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 |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.649 |
| Call Number |
UA @ admin @ c:irua:193761 |
Serial |
7971 |
| Permanent link to this record |
| |
|
| |
| Author |
Silva, F.C.O.; Menezes, R.M.; Cabral, L.R.E.; de Souza Silva, C.C. |
| Title |
Formation and stability of conformal spirals in confined 2D crystals |
Type |
A1 Journal article |
| Year |
2020 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
32 |
Issue |
50 |
Pages |
505401 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We investigate the ground-state and dynamical properties of nonuniform two-dimensional (2D) clusters of long-range interacting particles. We demonstrate that, when the confining external potential is designed to produce an approximate 1/ r 2 density profile, the particles crystallize into highly ordered structures featuring spiral crystalline lines. Despite the strong inhomogeneity of the observed configurations, most of them are characterized by small density of topological defects, typical of conformal crystals, and the net topological charge induced by the simply-connected geometry of the system is concentrated near the cluster center. These crystals are shown to be robust with respect to thermal fluctuations up to a certain threshold temperature, above which the net charge is progressively redistributed from the center to the rest of the system and the topological order is lost. The crystals are also resilient to the shear stress produced by a small nonuniform azimuthal force field, rotating as a rigid body (RB). For larger forces, topological defects proliferate and the RB rotation gives place to plastic flow. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
2020-08-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
2.7 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.7; 2020 IF: 2.649 |
| Call Number |
UA @ admin @ c:irua:191093 |
Serial |
7978 |
| Permanent link to this record |
| |
|
| |
| Author |
Bulut, P.; Beceren, B.; Yildirim, S.; Sevik, C.; Gurel, T. |
| Title |
Promising room temperature thermoelectric conversion efficiency of zinc-blende AgI from first principles |
Type |
A1 Journal article |
| Year |
2021 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
33 |
Issue |
1 |
Pages |
015501 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The theoretical investigation on structural, vibrational, and electronic properties of zinc-blende (ZB) AgI were carried out employing first principles density functional theory calculations. Thermoelectric properties then were predicted through semi-classical Boltzmann transport equations within the constant relaxation time approximation. Equilibrium lattice parameter, bulk modulus, elastic constants, and vibrational properties were calculated by using generalized gradient approximation. Calculated properties are in good agreement with available experimental values. Electronic and thermoelectric properties were investigated both with and without considering spin-orbit coupling (SOC) effect which is found to have a strong influence on p-type Seebeck coefficient as well as the power factor of the ZB-AgI. By inclusion of SOC, a reduction of the band-gap and p-type Seebeck coefficients as well as the power factor was found which is the indication of that spin-orbit interaction cannot be ignored for p-type thermoelectric properties of the ZB-AgI. By using deformation potential theory for electronic relaxation time and experimentally predicted lattice thermal conductivity, we obtained aZTvalue 1.69 (0.89) at 400 K for n-type (p-type) carrier concentration of 1.5 x 10(18)(4.6 x10(19)) cm(-3)that makes ZB-AgI as a promising room temperature thermoelectric material. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000577217600001 |
Publication Date |
2020-09-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
2.649 |
Times cited |
|
Open Access |
Not_Open_Access |
| Notes |
|
Approved |
Most recent IF: 2.649 |
| Call Number |
UA @ admin @ c:irua:193762 |
Serial |
8425 |
| Permanent link to this record |
| |
|
| |
| Author |
Menezes, R.M.; Sardella, E.; Cabral, L.R.E.; de Souza Silva, C.C. |
| Title |
Self-assembled vortex crystals induced by inhomogeneous magnetic textures |
Type |
A1 Journal article |
| Year |
2019 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
|
| Volume |
31 |
Issue |
17 |
Pages |
175402 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We investigate the self-assembly of vortices in a type-II superconducting disk subjected to highly nonuniform confining potentials produced by inhomogeneous magnetic textures. Using a series of numerical experiments performed within the Ginzburg–Landau theory, we show that vortices can arrange spontaneously in highly nonuniform, defect-free crystals, reminiscent of conformal lattices, even though the strict conditions for the conformal crystal are not fulfilled. These results contradict continuum-limit theory, which predicts that the order of a nonuniform crystal is unavoidably frustrated by the presence of topological defects. By testing different cooling routes of the superconductor, we observed several different self-assembled configurations, each of which corresponding to one in a set of allowed conformal transformations, which depends on the magnetic and thermal histories of the system. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
2019-01-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:191094 |
Serial |
8511 |
| Permanent link to this record |
| |
|
| |
| Author |
da Costa, D.R.; Chaves, A.; Farias, G.A.; Peeters, F.M. |
| Title |
Valley filtering in graphene due to substrate-induced mass potential |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
|
| Volume |
29 |
Issue |
21 |
Pages |
215502 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The interaction of monolayer graphene with specific substrates may break its sublattice symmetry and results in unidirectional chiral states with opposite group velocities in the different Dirac cones (Zarenia et al 2012 Phys. Rev. B 86 085451). Taking advantage of this feature, we propose a valley filter based on a transversal mass kink for low energy electrons in graphene, which is obtained by assuming a defect region in the substrate that provides a change in the sign of the substrate-induced mass and thus creates a non-biased channel, perpendicular to the kink, for electron motion. By solving the time-dependent Schrodinger equation for the tight-binding Hamiltonian, we investigate the time evolution of a Gaussian wave packet propagating through such a system and obtain the transport properties of this graphene-based substrate-induced quantum point contact. Our results demonstrate that efficient valley filtering can be obtained, provided: (i) the electron energy is sufficiently low, i.e. with electrons belonging mostly to the lowest sub-band of the channel, and (ii) the channel length (width) is sufficiently long (narrow). Moreover, even though the transmission probabilities for each valley are significantly affected by impurities and defects in the channel region, the valley polarization in this system is shown to be robust against their presence. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000400092700002 |
Publication Date |
2017-04-24 |
| 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 |
|
Times cited |
15 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:152636 |
Serial |
8730 |
| Permanent link to this record |
| |
|
| |
| Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M.; Volodin, A.; van Haesendonck, C. |
| Title |
The work function of few-layer graphene |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
|
| Volume |
29 |
Issue |
3 |
Pages |
035003 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
A theoretical and experimental study of the work function of few-layer graphene is reported. The influence of the number of layers on the work function is investigated in the presence of a substrate, a molecular dipole layer, and combinations of the two. The work function of few-layer graphene is almost independent of the number of layers with only a difference between monolayer and multilayer graphene of about 60 meV. In the presence of a charge-donating substrate the charge distribution is found to decay exponentially away from the substrate and this is directly reflected in the work function of few-layer graphene. A dipole layer changes the work function only when placed in between the substrate and few-layer graphene through a change of the charge transfer between the two. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000425250600002 |
Publication Date |
2016-11-16 |
| 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 |
|
Times cited |
61 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:164938 |
Serial |
8760 |
| Permanent link to this record |
| |
|
| |
| Author |
Bekaert, J.; Bringmans, L.; Milošević, M.V. |
| Title |
Ginzburg-Landau surface energy of multiband superconductors : derivation and application to selected systems |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
|
| Volume |
35 |
Issue |
32 |
Pages |
325602-325610 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We determine the energy of an interface between a multiband superconducting and a normal half-space, in presence of an applied magnetic field, based on a multiband Ginzburg-Landau (GL) approach. We obtain that the multiband surface energy is fully determined by the critical temperature, electronic densities of states, and superconducting gap functions associated with the different band condensates. This furthermore yields an expression for the thermodynamic critical magnetic field, in presence of an arbitrary number of contributing bands. Subsequently, we investigate the sign of the surface energy as a function of material parameters, through numerical solution of the GL equations. Here, we consider two distinct cases: (i) standard multiband superconductors with attractive interactions, and (ii) a three-band superconductor with a chiral ground state with phase frustration, arising from repulsive interband interactions. Furthermore, we apply this approach to several prime examples of multiband superconductors, such as metallic hydrogen and MgB2, based on microscopic parameters obtained from first-principles calculations. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000986281900001 |
Publication Date |
2023-05-03 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| 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:196664 |
Serial |
8875 |
| Permanent link to this record |
| |
|
| |
| Author |
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 |
| Permanent link to this record |
| |
|
| |
| Author |
Misko, V.R.; Savel'ev, S.; Nori, F. |
| Title |
Enhancement of the critical current in quasiperiodic pinning arrays : one-dimensional chains and Penrose lattices |
Type |
A1 Journal article |
| Year |
2006 |
Publication |
Physica: C : superconductivity
T2 – 4th International Conferene on Vortex Matter in Nanostructured, Superconductors (VORTEX IV), SEP 03-09, 2005, Iraklion, GREECE |
Abbreviated Journal |
Physica C |
| Volume |
437-38 |
Issue |
|
Pages |
213-216 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Here we summarize results from our study of the critical depinning current J(c) versus the applied magnetic flux Phi, for: (i) quasiperiodic (QP) one-dimensional (1D) chains and (ii) 2D arrays of pinning centers placed on the nodes of a five-fold Penrose lattice. In 1D QP chains, the peaks in J(c)(Phi) are determined by a sequence of harmonics of the long and short segments of the chain. The critical current J(c)(Phi) has a remarkable self-similarity. In 2D QP pinning arrays, we predict analytically and numerically the main features of J(c)(Phi), and demonstrate that the Penrose lattice of pinning sites provides an enormous enhancement of J(c)(Phi), even compared to triangular and random pinning site arrays. This huge increase in J(c)(Phi) could be useful for applications. (c) 2005 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000238395700051 |
Publication Date |
2006-02-08 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.404 |
Times cited |
6 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.404; 2006 IF: 0.792 |
| Call Number |
UA @ lucian @ c:irua:102707 |
Serial |
1064 |
| Permanent link to this record |
| |
|
| |
| Author |
Abreu, Y.; Cruz, C.M.; Pinera, I.; Leyva, A.; Cabal, A.E.; van Espen, P.; Van Remortel, N. |
| Title |
Hyperfine electric parameters calculation in Si samples implanted with 57Mn\rightarrow57Fe |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
|
| Volume |
445 |
Issue |
|
Pages |
1-4 |
| Keywords |
A1 Journal article; Particle Physics Group; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
| Abstract |
Nowadays the electronic structure calculations allow the study of complex systems determining the hyperfine parameters measured at a probe atom, including the presence of crystalline defects. The hyperfine electric parameters have been measured by Mossbauer spectroscopy in silicon materials implanted with Mn-57 ->,Fe-57 ions, observing four main contributions to the spectra. Nevertheless, some ambiguities still remain in the Fe-57 Mossbauer spectra interpretation in this case, regarding the damage configurations and its evolution with annealing. In the present work several implantation environments are evaluated and the Fe-57 hyperfine parameters are calculated. The observed correlation among the studied local environments and the experimental observations is presented, and a tentative microscopic description of the behavior and thermal evolution of the characteristic defects local environments of the probe atoms concerning the location of vacancies and interstitial Si in the neighborhood of Fe-57 ions in substitutional and interstitial sites is proposed. (C) 2014 Elsevier B.V. All rights reserved |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000336478700001 |
Publication Date |
2014-03-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4526; 1873-2135 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:117697 |
Serial |
8046 |
| Permanent link to this record |
| |
|
| |
| Author |
de Gryse, O.; Vanhellemont, J.; Clauws, P.; Lebedev, O.; van Landuyt, J.; Simoen, E.; Claeys, C. |
| Title |
A novel approach to analyse FTIR spectra of precipitates in boron-doped silicon |
Type |
A1 Journal article |
| Year |
2003 |
Publication |
Physica: B : condensed matter
T2 – 22nd International Conference on Defects in Semiconductors (ICDS-22), JUL 28-AUG 01, 2003, UNIV AARHUS, AARHUS, DENMARK |
Abbreviated Journal |
Physica B |
| Volume |
340 |
Issue |
|
Pages |
1013-1017 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Infrared absorption spectra of composite precipitates are analysed with a modified Day-Thorpe algorithm, assuming a precipitated phase consisting of a mixture of two components with known optical properties. Additional constraints are introduced when solving the model equations by using a priori knowledge making the algorithm more reliable. It is shown that this novel approach allows determining both morphology and composition of precipitates. The method is applied to characterise oxide precipitates in boron-doped silicon. The results indicate that for the resistivity range above 60 mOmegacm, the precipitated phase is most probably SiO1.17+/-0.14, while for resistivities below 20 mOmega cm, precipitates consist of a SiO2/B2O3 composite with a large volume fraction of B(2)0(3) (up to 40% for 8 mOmegacm material). (C) 2003 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000188300200213 |
Publication Date |
2003-11-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.386 |
Times cited |
4 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.386; 2003 IF: 0.908 |
| Call Number |
UA @ lucian @ c:irua:103784 |
Serial |
25 |
| Permanent link to this record |
| |
|
| |
| Author |
Sudheendra, L.; Moshnyaga, V.; Lebedev, O.I.; Gehrke, K.; Belenciuc, A.; Shapoval, O.; Van Tendeloo, G.; Samwer, K. |
| Title |
A-site ordering and stripe phases in manganite films |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Physica: B : condensed matter
T2 – International Conference on Strongly Correlated Electron Systems (SCES, 2007), MAY 13-18, 2007, Houston, TX |
Abbreviated Journal |
Physica B |
| Volume |
403 |
Issue |
5-9 |
Pages |
1645-1646 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Insulating and metallic stripes above and below the Curie temperature, T-C, respectively, were observed by a high-resolution scanning tunneling microscopy (STM) and/or spectroscopy (STS) in A-site ordered and macroscopically strain free epitaxial La0.75Ca0.25MnO3 film grown on MgO substrate. The “insulating” stripes were found to be incommensurable to the lattice and aligned along (110) direction. Metallic stripes were commensurable with periodicity 2a(p)similar to 0.8 nm and aligned parallel to the crystallographic a/b-axis. Formation of these stripes involves competing charge, orbital, and lattice orders and is an outcome of an overlapping of electron wave functions mediated by the local lattice-strain distribution, existed even in A-site ordered film due to the difference in cation radii of La and Ca. (C) 2007 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000254689900330 |
Publication Date |
2007-11-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
1.386 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.386; 2008 IF: 0.822 |
| Call Number |
UA @ lucian @ c:irua:104031 |
Serial |
26 |
| Permanent link to this record |
| |
|
| |
| Author |
Van de Put, M.L.; Vandenberghe, W.G.; Magnus, W.; Sorée, B. |
| Title |
An envelope function formalism for lattice-matched heterostructures |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
| Volume |
470-471 |
Issue |
470-471 |
Pages |
69-75 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The envelope function method traditionally employs a single basis set which, in practice, relates to a single material because the k.p matrix elements are generally only known in a particular basis. In this work, we defined a basis function transformation to alleviate this restriction. The transformation is completely described by the known inter-band momentum matrix elements. The resulting envelope function equation can solve the electronic structure in lattice matched heterostructures without resorting to boundary conditions at the interface between materials, while all unit-cell averaged observables can be calculated as with the standard envelope function formalism. In the case of two coupled bands, this heterostructure formalism is equivalent to the standard formalism while taking position dependent matrix elements. (C) 2015 Elsevier B.V. All rights reserved |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000355149600011 |
Publication Date |
2015-04-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.386 |
Times cited |
5 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 1.386; 2015 IF: 1.319 |
| Call Number |
c:irua:126397 |
Serial |
95 |
| Permanent link to this record |
| |
|
| |
| Author |
de Gryse, O.; Clauws, P.; Lebedev, O.; van Landuyt, J.; Vanhellemont, J.; Claeys, C.; Simoen, E. |
| Title |
Chemical and structural characterization of oxygen precipitates in silicon by infrared spectroscopy and TEM |
Type |
A1 Journal article |
| Year |
2001 |
Publication |
Physica: B : condensed matter
T2 – 21st International Conference on Defects in Semiconductors, JUL 16-20, 2001, GIESSEN, GERMANY |
Abbreviated Journal |
Physica B |
| Volume |
308 |
Issue |
|
Pages |
294-297 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Infrared absorption spectra of polyhedral and platelet oxygen precipitates are analyzed using a modified Day-Thorpe approach (J. Phys.: Condens. Matter 11 (1999) 2551). The aspect ratio has been determined by TEM measurements. The reduced spectral function and the stoichiometry are extracted from the absorption spectra and the concentration of precipitated interstitial oxygen. One set of spectra reveal a Frohlich frequency around 1100 cm(-1) and another around 1110-1120 cm(-1). It is shown that the shift in the Frohlich frequency is not due to a different stoichiometry, but due to the detailed structure in the reduced spectral function. The oxygen precipitates consist of SiO. with gammaapproximate to1.1-1.2+/-0.1. (C) 2001 Elsevier Science B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Elsevier science bv |
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000173660100073 |
Publication Date |
2002-10-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.386 |
Times cited |
3 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.386; 2001 IF: 0.663 |
| Call Number |
UA @ lucian @ c:irua:103389 |
Serial |
345 |
| Permanent link to this record |
| |
|
| |
| Author |
Peeters, F.M.; Schweigert, V.A.; Bedanov, V.M. |
| Title |
Classical two-dimensional atoms |
Type |
A1 Journal article |
| Year |
1995 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
| Volume |
710 |
Issue |
|
Pages |
237-244 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1995RT41700009 |
Publication Date |
2003-05-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.319 |
Times cited |
31 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:12202 |
Serial |
372 |
| Permanent link to this record |
| |
|
| |
| Author |
Van Bockstal, L.; Mahy, M.; de Keyser, A.; Hoeks, W.; Herlach, F.; Peeters, F.M.; Van de Graaf, W.; Borghs, G. |
| Title |
Cyclotron-resonance of 2d electrons at Si-\delta-doped InSb layers grown on GaAs |
Type |
A1 Journal article |
| Year |
1995 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
| Volume |
211 |
Issue |
1-4 |
Pages |
466-469 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Cyclotron resonance (CR) of the electrons accumulated at sheets with heavy Si doping in InSb were observed using far infrared radiation. The angular dependence of the CR follows closely the 1/cos theta behaviour with some small deviations at high angles attributed to coupling between subbands. From the effective mass of the lowest subband, which is found to be 0.027m(o), the bottom of the lowest subband was determined to lie 125 meV below the Fermi level. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
Elsevier |
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1995RD54400121 |
Publication Date |
2003-05-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.319 |
Times cited |
2 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:95914 |
Serial |
601 |
| Permanent link to this record |
| |
|
| |
| Author |
Koenraad, P.M.; van de Stadt, A.F.W.; Hai, G.Q.; Shi, J.M.; Vansant, P.; Peeters, F.M.; Devreese, J.T.; Perenboom, J.A.A.J.; Wolter, J.H. |
| Title |
Electron mobility in Si delta doped GaAs |
Type |
A1 Journal article |
| Year |
1995 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
| Volume |
211 |
Issue |
|
Pages |
462-465 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1995RD54400120 |
Publication Date |
2003-05-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.319 |
Times cited |
9 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:11694 |
Serial |
978 |
| Permanent link to this record |
| |
|
| |
| Author |
Bogaerts, R.; van Esch, A.; van Bockstal, L.; Herlach, F.; Peeters, F.M.; DeRosa, F.; Palmstrøm, C.J.; Allen, S.J. |
| Title |
Experimental study of the energy band structure of Sc1-xErxAs layers in pulsed magnetic fields |
Type |
A1 Journal article |
| Year |
1993 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
| Volume |
184 |
Issue |
|
Pages |
232-235 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1993KU62100047 |
Publication Date |
2002-10-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.319 |
Times cited |
9 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:5791 |
Serial |
1143 |
| Permanent link to this record |
