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Author Peeters, F.M. openurl 
  Title (up) The phase diagram Type H3 Book chapter
  Year 1997 Publication Abbreviated Journal  
  Volume Issue Pages 17-32  
  Keywords H3 Book chapter; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Kluwer Academic Publishers Place of Publication Dordrecht Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:19261 Serial 2580  
Permanent link to this record
 

 
Author Mukhopadhyay, S.; Peeters, F.M. pdf  doi
openurl 
  Title (up) The pinning effect in a parabolic quantum dot Type A1 Journal article
  Year 2002 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 14 Issue 34 Pages 8005-8010  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using improved Wigner-Brillouin perturbation theory we study resonant electron-phonon interaction in a semiconductor quantum dot. We predict pinning of the excited energy levels to the ground state level plus one optical phonon as a function of the strength of the confinement potential. This effect should be observable through optical spectroscopic measurements.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000178051800022 Publication Date 2002-09-17  
  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 4 Open Access  
  Notes Approved Most recent IF: 2.649; 2002 IF: 1.775  
  Call Number UA @ lucian @ c:irua:102824 Serial 3591  
Permanent link to this record
 

 
Author da Costa, W.B.; Peeters, F.M. doi  openurl
  Title (up) The polaron-bipolaron transition for acoustical three-dimensional polarons Type A1 Journal article
  Year 1996 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 8 Issue Pages 2173-2183  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1996UD88400009 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 10 Open Access  
  Notes Approved  
  Call Number UA @ lucian @ c:irua:15799 Serial 2661  
Permanent link to this record
 

 
Author van der Burgt, M.; Thoen, P.; Herlach, F.; Peeters, F.M.; Harris, J.J.; Foxon, C.T. doi  openurl
  Title (up) The quantized Hall effect in pulsed magnetic fields Type A1 Journal article
  Year 1992 Publication Physica: B Abbreviated Journal Physica B  
  Volume 177 Issue Pages 409-413  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1992HP25000086 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 14 Open Access  
  Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #  
  Call Number UA @ lucian @ c:irua:3026 Serial 2770  
Permanent link to this record
 

 
Author Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. pdf  doi
openurl 
  Title (up) The quasiparticle band structure of zincblende and rocksalt ZnO Type A1 Journal article
  Year 2010 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 22 Issue 12 Pages 125505,1-125505,7  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We present the quasiparticle band structure of ZnO in its zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. The effect of the pd hybridization on the quasiparticle corrections to the band gap is discussed. We compare three systems, ZB-ZnO which shows strong pd hybridization and has a direct band gap, RS-ZnO which is also hybridized but includes inversion symmetry and therefore has an indirect band gap, and ZB-ZnS which shows a weaker hybridization due to a change of the chemical species from oxygen to sulfur. The quasiparticle corrections are calculated with different numbers of valence electrons in the Zn pseudopotential. We find that the Zn20 + pseudopotential is essential for the adequate treatment of the exchange interaction in the self-energy. The calculated GW band gaps are 2.47 eV and 4.27 eV respectively, for the ZB and RS phases. The ZB-ZnO band gap is underestimated compared to the experimental value of 3.27 by ~ 0.8 eV. The RS-ZnO band gap compares well with the experimental value of 4.5 eV. The underestimation for ZB-ZnO is correlated with the strong pd hybridization. The GW band gap for ZnS is 3.57 eV, compared to the experimental value of 3.8 eV.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000275496600010 Publication Date 2010-03-13  
  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 53 Open Access  
  Notes Iwt; Fwo; Bof-Nio Approved Most recent IF: 2.649; 2010 IF: 2.332  
  Call Number UA @ lucian @ c:irua:81531 Serial 2802  
Permanent link to this record
 

 
Author Kato, H.; Peeters, F.M.; Ulloa, S.E. doi  openurl
  Title (up) The remote plasmon polaron Type A1 Journal article
  Year 1999 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 45 Issue Pages 235-241  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos 000078026400015 Publication Date 2003-12-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.957 Times cited 6 Open Access  
  Notes Approved Most recent IF: 1.957; 1999 IF: 2.214  
  Call Number UA @ lucian @ c:irua:24173 Serial 2870  
Permanent link to this record
 

 
Author Kato, H.; Peeters, F.M.; Ulloa, S.E. openurl 
  Title (up) The remote Wigner polaron in a two-dimensional electron system Type A1 Journal article
  Year 1997 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 40 Issue Pages 551-556  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos A1997YK05500013 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0295-5075 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.957 Times cited 5 Open Access  
  Notes Approved Most recent IF: 1.957; 1997 IF: 2.350  
  Call Number UA @ lucian @ c:irua:19266 Serial 2872  
Permanent link to this record
 

 
Author Litzius, K.; Leliaert, J.; Bassirian, P.; Rodrigues, D.; Kromin, S.; Lemesh, I.; Zazvorka, J.; Lee, K.-J.; Mulkers, J.; Kerber, N.; Heinze, D.; Keil, N.; Reeve, R.M.; Weigand, M.; Van Waeyenberge, B.; Schuetz, G.; Everschor-Sitte, K.; Beach, G.S.D.; Klaeui, M. pdf  doi
openurl 
  Title (up) The role of temperature and drive current in skyrmion dynamics Type A1 Journal article
  Year 2020 Publication Nature Electronics Abbreviated Journal  
  Volume 3 Issue 1 Pages 30-36  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Magnetic skyrmions are topologically stabilized nanoscale spin structures that could be of use in the development of future spintronic devices. When a skyrmion is driven by an electric current it propagates at an angle relative to the flow of current-known as the skyrmion Hall angle (SkHA)-that is a function of the drive current. This drive dependence, as well as thermal effects due to Joule heating, could be used to tailor skyrmion trajectories, but are not well understood. Here we report a study of skyrmion dynamics as a function of temperature and drive amplitude. We find that the skyrmion velocity depends strongly on temperature, while the SkHA does not and instead evolves differently in the low- and high-drive regimes. In particular, the maximum skyrmion velocity in ferromagnetic devices is limited by a mechanism based on skyrmion surface tension and deformation (where the skyrmion transitions into a stripe). Our mechanism provides a complete description of the SkHA in ferromagnetic multilayers across the full range of drive strengths, illustrating that skyrmion trajectories can be engineered for device applications. An analysis of skyrmion dynamics at different temperatures and electric drive currents is used to develop a complete description of the skyrmion Hall angle in ferromagnetic multilayers from the creep to the flow regime and illustrates that skyrmion trajectories can be engineered for device applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000510860800012 Publication Date 2020-01-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 11 Open Access  
  Notes ; ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:167863 Serial 6625  
Permanent link to this record
 

 
Author Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B. pdf  url
doi  openurl
  Title (up) The role of the VZn-NO-H complex in the p-type conductivity in ZnO Type A1 Journal article
  Year 2015 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 17 Issue 17 Pages 5485-5489  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract Past research efforts aiming at obtaining stable p-type ZnO have been based on complexes involving nitrogen doping. A recent experiment by (J. G. Reynolds et al., Appl. Phys. Lett., 2013, 102, 152114) demonstrated a significant ([similar]1018 cm−3) p-type behavior in N-doped ZnO films after appropriate annealing. The p-type conductivity was attributed to a VZnNOH shallow acceptor complex, formed by a Zn vacancy (VZn), N substituting O (NO), and H interstitial (Hi). We present here a first-principles hybrid functional study of this complex compared to the one without hydrogen. Our results confirm that the VZnNOH complex acts as an acceptor in ZnO. We find that H plays an important role, because it lowers the formation energy of the complex with respect to VZnNO, a complex known to exhibit (unstable) p-type behavior. However, this additional H atom also occupies the hole level at the origin of the shallow behavior of VZnNO, leaving only two states empty higher in the band gap and making the VZnNOH complex a deep acceptor. Therefore, we conclude that the cause of the observed p-type conductivity in experiment is not the presence of the VZnNOH complex, but probably the formation of the VZnNO complex during the annealing process.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000349616400080 Publication Date 2015-01-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.123 Times cited 20 Open Access  
  Notes FWO G021614N; FWO G015013; FWO G018914N; GOA; Hercules Approved Most recent IF: 4.123; 2015 IF: 4.493  
  Call Number c:irua:123218 Serial 3592  
Permanent link to this record
 

 
Author Partoens, B.; Peeters, F.M. doi  openurl
  Title (up) The spin structure of two vertically coupled quantum dots Type A1 Journal article
  Year 2000 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E  
  Volume 6 Issue Pages 577-580  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher North-Holland Place of Publication Amsterdam Editor  
  Language Wos 000085770600138 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1386-9477; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.221 Times cited 2 Open Access  
  Notes Approved Most recent IF: 2.221; 2000 IF: 0.878  
  Call Number UA @ lucian @ c:irua:28524 Serial 3100  
Permanent link to this record
 

 
Author Chaves, A.; Farias, G.A.; Peeters, F.M.; Ferreira, R. pdf  doi
openurl 
  Title (up) The Split-operator technique for the study of spinorial wavepacket dynamics Type A1 Journal article
  Year 2015 Publication Communications in computational physics Abbreviated Journal Commun Comput Phys  
  Volume 17 Issue 17 Pages 850-866  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The split-operator technique for wave packet propagation in quantum systems is expanded here to the case of propagatingwave functions describing Schrodinger particles, namely, charge carriers in semiconductor nanostructures within the effective mass approximation, in the presence of Zeeman effect, as well as of Rashba and Dresselhaus spin-orbit interactions. We also demonstrate that simple modifications to the expanded technique allow us to calculate the time evolution of wave packets describing Dirac particles, which are relevant for the study of transport properties in graphene.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000353695400010 Publication Date 2015-03-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1815-2406;1991-7120; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.004 Times cited 24 Open Access  
  Notes ; The authors gratefully acknowledge fruitful discussions with J. M. Pereira Jr. and R. N. Costa Filho. This work was financially supported by CNPq through the INCT-NanoBioSimes and the Science Without Borders programs (contract 402955/ 2012-9), PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 2.004; 2015 IF: 1.943  
  Call Number c:irua:126028 Serial 3593  
Permanent link to this record
 

 
Author Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. doi  openurl
  Title (up) The structure and manipulation of vortex states in a superconducting square with 2 × 2 blind holes Type A1 Journal article
  Year 2005 Publication Journal of low temperature physics Abbreviated Journal J Low Temp Phys  
  Volume 139 Issue 1 Pages 229-238  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York Editor  
  Language Wos 000228853900021 Publication Date 2005-04-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-2291;1573-7357; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.3 Times cited 4 Open Access  
  Notes Approved Most recent IF: 1.3; 2005 IF: 0.753  
  Call Number UA @ lucian @ c:irua:57246 Serial 3284  
Permanent link to this record
 

 
Author Berdiyorov, G.R.; Baelus, B.J.; Milošević, M.V.; Peeters, F.M. doi  openurl
  Title (up) The superconducting state in square mesoscopic samples with two and four antidots Type A1 Journal article
  Year 2004 Publication Physica: C : superconductivity Abbreviated Journal Physica C  
  Volume 404 Issue Pages 56-60  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000221211500012 Publication Date 2004-02-28  
  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 3 Open Access  
  Notes Approved Most recent IF: 1.404; 2004 IF: 1.072  
  Call Number UA @ lucian @ c:irua:44978 Serial 3367  
Permanent link to this record
 

 
Author Partoens, B.; Matulis, A.; Peeters, F.M. doi  openurl
  Title (up) The two electron artificial molecule Type A1 Journal article
  Year 1999 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 59 Issue Pages 1617-1620  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000078291000018 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 34 Open Access  
  Notes Approved Most recent IF: 3.836; 1999 IF: NA  
  Call Number UA @ lucian @ c:irua:24160 Serial 3779  
Permanent link to this record
 

 
Author Milošević, M.V.; Yampolskii, S.V.; Peeters, F.M. doi  openurl
  Title (up) The vortex-magnetic dipole interaction in the London approximation Type A1 Journal article
  Year 2003 Publication Journal of low temperature physics Abbreviated Journal J Low Temp Phys  
  Volume 130 Issue 3/4 Pages 321-331  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York Editor  
  Language Wos 000180742900014 Publication Date 2003-03-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-2291; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.3 Times cited 3 Open Access  
  Notes Approved Most recent IF: 1.3; 2003 IF: 1.171  
  Call Number UA @ lucian @ c:irua:44987 Serial 3868  
Permanent link to this record
 

 
Author Janyavula, S.; Lawson, N.; Çakir, D.; Beck, P.; Ramp, L.C.; Burgess, J.O. doi  openurl
  Title (up) The wear of polished and glazed zirconia against enamel Type A1 Journal article
  Year 2013 Publication Journal Of Prosthetic Dentistry Abbreviated Journal J Prosthet Dent  
  Volume 109 Issue 1 Pages 22-29  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Statement of problem. The wear of tooth structure opposing anatomically contoured zirconia crowns requires further investigation. Purpose. The purpose of this in vitro study was to measure the roughness and wear of polished, glazed, and polished then reglazed zirconia against human enamel antagonists and compare the measurements to those of veneering porcelain and natural enamel. Material and methods. Zirconia specimens were divided into polished, glazed, and polished then reglazed groups (n=8). A veneering porcelain (Ceramco3) and enamel were used as controls. The surface roughness of all pretest specimens was measured. Wear testing was performed in the newly designed Alabama wear testing device. The mesiobuccal cusps of extracted molars were standardized and used as antagonists. Three-dimensional (3D) scans of the specimens and antagonists were obtained at baseline and after 200 000 and 400 000 cycles with a profilometer. The baseline scans were superimposed on the posttesting scans to determine volumetric wear. Data were analyzed with a 1-way ANOVA and Tukey Honestly Significant Difference (HSD) post hoc tests (alpha=.05) Results. Surface roughness ranked in order of least rough to roughest was: polished zirconia, glazed zirconia, polished then reglazed zirconia, veneering porcelain, and enamel. For ceramic, there was no measureable loss on polished zirconia, moderate loss on the surface of enamel, and significant loss on glazed and polished then reglazed zirconia. The highest ceramic wear was exhibited by the veneering ceramic. For enamel antagonists, polished zirconia caused the least wear, and enamel caused moderate wear. Glazed and polished then reglazed zirconia showed significant opposing enamel wear, and veneering porcelain demonstrated the most. Conclusions. Within the limitations of the study, polished zirconia is wear-friendly to the opposing tooth. Glazed zirconia causes more material and antagonist wear than polished zirconia. The surface roughness of the zirconia aided in predicting the wear of the opposing dentition. (J Prosthet Dent 2013;109:22-29)  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication St. Louis, Mo. Editor  
  Language Wos 000313934900004 Publication Date 2013-01-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3913 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.095 Times cited 89 Open Access  
  Notes ; ; Approved Most recent IF: 2.095; 2013 IF: 1.419  
  Call Number UA @ lucian @ c:irua:128327 Serial 4612  
Permanent link to this record
 

 
Author Leenaerts, O.; Partoens, B.; Peeters, F.M.; Volodin, A.; van Haesendonck, C. pdf  doi
openurl 
  Title (up) 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 Gul, A.; Bacaksiz, C.; Unsal, E.; Akbali, B.; Tomak, A.; Zareie, H.M.; Sahin, H. doi  openurl
  Title (up) Theoretical and experimental investigation of conjugation of 1,6-hexanedithiol on MoS2 Type A1 Journal article
  Year 2018 Publication Materials Research Express Abbreviated Journal Mater Res Express  
  Volume 5 Issue 3 Pages 036415  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We report an experimental and theoretical investigation of conjugation of 1,6-Hexaneditihiol (HDT) on MoS2 which is prepared by mixing MoS2 structure and HDT molecules in proper solvent. Raman spectra and the calculated phonon bands reveal that the HDT molecules bind covalently to MoS2. Surface morphology of MoS2/HDTstructure is changed upon conjugation ofHDTon MoS2 and characterized by using Scanning Electron Microscope (SEM). Density Functional Theory (DFT) based calculations show that HOMO-LUMO band gap of HDT is altered after the conjugation and two-S binding (handle-like) configuration is energetically most favorable among three different structures. This study displays that the facile thiol functionalization process of MoS2 is promising strategy for obtaining solution processable MoS2.  
  Address  
  Corporate Author Thesis  
  Publisher IOP Publishing Place of Publication Bristol Editor  
  Language Wos 000428781400003 Publication Date 2018-03-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-1591 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.068 Times cited 2 Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 116C073. HS acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. ; Approved Most recent IF: 1.068  
  Call Number UA @ lucian @ c:irua:154607UA @ admin @ c:irua:154607 Serial 5133  
Permanent link to this record
 

 
Author Hasnat Rubel, A. file  openurl
  Title (up) Theoretical characterization and optimization of nano-engineered superconducting scanning probe tip Type Doctoral thesis
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages viii, 145 p.  
  Keywords Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Using state-of-the-art simulation methods, we optimized the performance of nanoscale superconducting scanning probe tips for advanced spatial imaging of magnetic fields. The systematic studies of the tips’ static properties as a function of the tilted magnetic field, geometric parameters, and material parameters were carried out. The sensitivity of different superconducting quantum interference devices (SQUIDs) to the magnetic field emanating from the magnetic nanoparticle, where the location of a magnetic nanoparticle is considered below the primary loop's center, was examined as a function of the primary and secondary loop dimensions. The main objective of the research was to characterize and optimize the performance of a nano-sized SQUID-on-tip (SOT) device. Optimal SOT sensitivity was sought, for different loop sizes, arm linewidth, and lead dimensions. Moreover, we revealed that a constriction in the loop arms of the SOT can substantially improve the sensitivity of the device. Finally, the properties of the theta-SOT device were examined in the presence of in-plane and out-of-plane magnetic field components, enabling nanoscale imaging of 3D distributions of the magnetic field. Altogether, the obtained results deliver an engineering solution for the optimum performance of the SOT device in desired conditions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:199494 Serial 8942  
Permanent link to this record
 

 
Author Chu, D.P.; Peeters, F.M.; Kolodinski, S.; Roca, E. openurl 
  Title (up) Theoretical investigation of CoSi2/Si1-xGex detectors: influence of a Si tunneling barrier on the electro-optical characteristics Type A1 Journal article
  Year 1996 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 79 Issue Pages 1151-1156  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos A1996TQ77500084 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.183 Times cited 3 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:15801 Serial 3606  
Permanent link to this record
 

 
Author Chaves, A.; Mayers, M.Z.; Peeters, F.M.; Reichman, D.R. url  doi
openurl 
  Title (up) Theoretical investigation of electron-hole complexes in anisotropic two-dimensional materials Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 93 Issue 93 Pages 115314  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Trions and biexcitons in anisotropic two-dimensional materials are investigated within an effective mass theory. Explicit results are obtained for phosphorene and arsenene, materials that share features such as a direct quasiparticle gap and anisotropic conduction and valence bands. Trions are predicted to have remarkably high binding energies and an elongated electron-hole structure with a preference for alignment along the armchair direction, where the effective masses are lower. We find that biexciton binding energies are also notably large, especially for monolayer phosphorene, where they are found to be twice as large as those for typical monolayer transition metal dichalcogenides.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000372715700001 Publication Date 2016-03-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 33 Open Access  
  Notes ; This work has been financially supported by CNPq, through the PRONEX/FUNCAP and Science Without Borders programs, the FWO-CNPq bilateral program between Brazil and Flanders, and the Lemann Foundation. M.Z.M. is supported by a fellowship from the National Science Foundation, under Grant No. DGE-11-44155. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:133191 Serial 4262  
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Author Verberck, B.; Nikolaev, A.V.; Michel, K.H. doi  openurl
  Title (up) Theoretical model for the structural phase transition and the metal-insulator transition in polymerized KC60 Type A1 Journal article
  Year 2004 Publication Fullerenes, nanotubes, and carbon nanostructures T2 – 6th Biennial International Workshop on Fullerenes and Atomic Clusters, JUN 30-JUL 04, 2003, St Petersburg, RUSSIA Abbreviated Journal Fuller Nanotub Car N  
  Volume 12 Issue 1-2 Pages 243-252  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The recently discovered structural phase transition in Polymerized KC60 at about 50K leads to a doubling of the unit cell volume and is accompanied by a metal-insulator transition. Here, we show that the ((a) over right arrow + (c) over right arrow, (b) over right arrow, (a) over right arrow – (c) over right arrow) superstructure results from orientational charge density waves along the polymer chains and correlated displacements of the K+ ions. The presented model can also account for the metal-insulator transition. The effect is specific for the space group Pmnn of KC60 and is absent in both Rb- and CsC60 (space group 12/m), in agreement with the present experimental knowledge of these compounds.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000220551600040 Publication Date 2004-03-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1536-383X;1536-4046; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.35 Times cited Open Access  
  Notes Approved Most recent IF: 1.35; 2004 IF: 1.117  
  Call Number UA @ lucian @ c:irua:103259 Serial 3607  
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Author Verberck, B.; Nikolaev, A.V.; Michel, K.H. url  doi
openurl 
  Title (up) Theoretical model for the structural phase transition at the metal-insulator transition in polymerized KC60 Type A1 Journal article
  Year 2002 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 66 Issue 16 Pages 165425-165425,14  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The recently discovered structural transition in polymerized KC60 at about 50 K results in a doubling of the unit cell volume and accompanies the metal-insulator transition. Here we show that the ((a) over right arrow+(c) over right arrow,(b) over right arrow,(a) over right arrow-(c) over right arrow) superstructure results from small orientational charge density waves along the polymer chains and concomitant displacements of the surrounding K+ ions. The effect is specific for the space group Pmnn of KC60 and is absent in RbC60 and CsC60 (space group I2/m). The mechanism is relevant for the metal-insulator transition.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000179286400135 Publication Date 2002-10-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 10 Open Access  
  Notes Approved Most recent IF: 3.836; 2002 IF: NA  
  Call Number UA @ lucian @ c:irua:94907 Serial 3608  
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Author Michel, K.H.; Verberck, B. doi  openurl
  Title (up) Theoretical phonon dispersions in monolayers and multilayers of hexagonal boron-nitride Type A1 Journal article
  Year 2009 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B  
  Volume 246 Issue 11/12 Pages 2802-2805  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Starting from an empirical force constant model of valence interactions and calculating by Ewald's method the electrostatic force constants, we derive the dynamical matrix for a monolayer and for multilayer systems of hexagonal boron nitride (h-BN). Solution of the secular problem leads to the corresponding phonon dispersion relations. The interplay between valence forces and Coulomb forces is discussed. A comparison with previous results on graphene and graphene multilayers is made. Our spectra on the h-BN monolayer are rather similar to previous ab initio theory results. Comparison is also made with Raman and infrared experimental results.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos 000272904100091 Publication Date 2009-11-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0370-1972; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.674 Times cited 10 Open Access  
  Notes Approved Most recent IF: 1.674; 2009 IF: 1.150  
  Call Number UA @ lucian @ c:irua:80673 Serial 3609  
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Author Nguyen, D.K.; Hoat, D.M.; Bafekry, A.; Van On, V.; Rivas-Silva, J.F.; Naseri, M.; Cocoletzi, G.H. pdf  doi
openurl 
  Title (up) Theoretical prediction of the PtOX (X = S and Se) monolayers as promising optoelectronic and thermoelectric 2D materials Type A1 Journal article
  Year 2021 Publication Physica E-Low-Dimensional Systems & Nanostructures Abbreviated Journal Physica E  
  Volume 131 Issue Pages 114732  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract In this paper, two new monolayers, namely PtOS and PtOSe, are theoretically predicted using first-principles calculations. Structural, electronic, optical and thermoelectric properties are explored using full-potential linearized augmented plane-wave (FP-LAPW) method and the semiclassical Boltzmann transport theory. Predicted two-dimensional (2D) materials show good dynamical, thermodynamic and structural stability. Calculated electronic structures indicate the indirect gap semiconductor nature of the PtOS and PtOSe single layers with energy gap of 1.346(2.436) and 0.978(1.978) eV as calculated with the WC(HSE06) functional, respectively. Density of states spectra and valence charge distribution maps suggest a mix of covalent and ionic characters of the chemical bonds. 2D materials at hand exhibit good absorption property in the visible regime with coefficient value reaching the order of 105/cm, even much larger in the ultraviolet, suggesting the promising optoelectronic applicability. Finally, the thermoelectric parameters including electrical conductivity, thermal conductivity, Seebeck coefficient, power factor and figure of merit are determined and analyzed. Results indicate prospective thermoelectric performance of both considered single layers as demonstrated by large figure of merit close to unity. Our work introduces two new 2D multifunctional materials that may possess potential applications in the optoelectronic and thermoelectric nano-devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000647410700007 Publication Date 2021-03-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1386-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.221 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.221  
  Call Number UA @ admin @ c:irua:178346 Serial 7030  
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Author Mlinar, V.; Schliwa, A.; Bimberg, D.; Peeters, F.M. url  doi
openurl 
  Title (up) Theoretical study of electronic and optical properties of inverted GaAs/AlxGa1-xAs quantum dots with smoothed interfaces in an external magnetic field Type A1 Journal article
  Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 75 Issue Pages 205308,1-9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000246890900065 Publication Date 2007-09-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 14 Open Access  
  Notes Approved Most recent IF: 3.836; 2007 IF: 3.172  
  Call Number UA @ lucian @ c:irua:69652 Serial 3610  
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Author Berdiyorov, G.R.; Bahlouli, H.; Peeters, F.M. url  doi
openurl 
  Title (up) Theoretical study of electronic transport properties of a graphene-silicene bilayer Type A1 Journal article
  Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 117 Issue 117 Pages 225101  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Electronic transport properties of a graphene-silicene bilayer system are studied using density-functional theory in combination with the nonequilibrium Green's function formalism. Depending on the energy of the electrons, the transmission can be larger in this system as compared to the sum of the transmissions of separated graphene and silicene monolayers. This effect is related to the increased electron density of states in the bilayer sample. At some energies, the electronic states become localized in one of the layers, resulting in the suppression of the electron transmission. The effect of an applied voltage on the transmission becomes more pronounced in the layered sample as compared to graphene due to the larger variation of the electrostatic potential profile. Our findings will be useful when creating hybrid nanoscale devices where enhanced transport properties will be desirable. (C) 2015 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000356176100040 Publication Date 2015-06-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 10 Open Access  
  Notes ; H. B. and F. M. P. acknowledge support from King Fahd University of Petroleum and Minerals, Saudi Arabia, under the RG1329-1 and RG1329-2 DSR Projects. ; Approved Most recent IF: 2.068; 2015 IF: 2.183  
  Call Number c:irua:127075 Serial 3611  
Permanent link to this record
 

 
Author Mlinar, V.; Peeters, F.M. doi  openurl
  Title (up) Theoretical study of InAs/GaAs quantum dots grown on [11k] substrates in the presence of a magnetic field Type A1 Journal article
  Year 2006 Publication Microelectronics journal Abbreviated Journal Microelectron J  
  Volume 37 Issue 12 Pages 1427-1429  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Luton Editor  
  Language Wos 000242907400002 Publication Date 2006-07-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.163 Times cited Open Access  
  Notes Approved Most recent IF: 1.163; 2006 IF: 0.651  
  Call Number UA @ lucian @ c:irua:62325 Serial 3612  
Permanent link to this record
 

 
Author Moors, K.; Contino, A.; Van de Put, M.L.; Vandenberghe, W.G.; Fischetti, M., V; Magnus, W.; Sorée, B. url  doi
openurl 
  Title (up) Theoretical study of scattering in graphene ribbons in the presence of structural and atomistic edge roughness Type A1 Journal article
  Year 2019 Publication Physical review materials Abbreviated Journal  
  Volume 3 Issue 2 Pages 024001  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering, ranging from wide graphene ribbons with (partially) diffusive edge scattering to ribbons with large width variations and nanoribbons with atomistic edge roughness. For the latter, we introduce an approach based on pseudopotentials, allowing for an atomistic treatment of the band structure and the scattering potential, on the self-consistent solution of the Boltzmann transport equation within the relaxation-time approximation and taking into account the edge-roughness properties and statistics. The resulting resistivity depends strongly on the ribbon orientation, with zigzag (armchair) ribbons showing the smallest (largest) resistivity and intermediate ribbon orientations exhibiting intermediate resistivity values. The results also show clear resistivity peaks, corresponding to peaks in the density of states due to the confinement-induced subband quantization, except for armchair-edge ribbons that show a very strong width dependence because of their claromatic behavior. Furthermore, we identify a strong interplay between the relative position of the two valleys of graphene along the transport direction, the correlation profile of the atomistic edge roughness, and the chiral valley modes, leading to a peculiar strongly suppressed resistivity regime, most pronounced for the zigzag orientation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000458161800001 Publication Date 2019-02-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 4 Open Access  
  Notes ; We acknowledge the Research Foundation – Flanders (FWO) for supporting K.M.'s research visit at the University of Texas at Dallas, as well as the support by the National Research Fund Luxembourg (FNR) with ATTRACT Grant No. 7556175. ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:157499 Serial 5235  
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Author Xiao, Y. openurl 
  Title (up) Theoretical study of the optoelectronic properties of new type 2DEG materials : multilayer graphene and monolayer MoS2 Type Doctoral thesis
  Year 2017 Publication Abbreviated Journal  
  Volume Issue Pages 144 p.  
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:144948 Serial 8661  
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