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Author Peeters, F.M.; Tadić, M.; Janssens, K.L.; Partoens, B. openurl 
  Title (up) Hole band engineering in self-assembled quantum dots and molecules Type H1 Book chapter
  Year 2004 Publication Abbreviated Journal  
  Volume Issue Pages 191-202  
  Keywords H1 Book chapter; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication s.l. 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; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:62454 Serial 1475  
Permanent link to this record
 

 
Author Čukarić, N.; Arsoski, V.; Tadić, M.; Peeters, F.M. url  doi
openurl 
  Title (up) Hole states in nanocups in a magnetic field Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 85 Issue 23 Pages 235425-235425,11  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The magnetic-field dependence of the hole states in a nanocup, which is composed of a ring (the nanocup rim) that surrounds a disk (the nanocup bottom), is obtained within the Luttinger-Kohn model for the unstrained GaAs/(Al,Ga) As and the strained (In,Ga) As/GaAs systems. Aharonov-Bohm oscillations due to angular momentum transitions of the hole ground state appear with periods that vary with the thickness of the disk. The strain in the (In, Ga) As/GaAs nanocup is sensitive to the disk thickness and favors the spatial localization of the heavy holes inside the disk. Therefore, the angular momentum transitions between the valence-band states disappear for much thinner disks than in the case of the unstrained GaAs/(Al, Ga) As nanocups. In both systems, the oscillations in the energy of the hole ground state are found to disappear for thinner inner layer than in the electron ground-state energy. This is due to the different confining potentials and the mixing between the heavy- and light-hole states. As a consequence, magnetization of the single hole is found to strongly depend on the bottom thickness of the strained (In, Ga) As/GaAs nanocup. Furthermore, we found that the strain can lead to a spatial separation of the electron and the hole, as in type-II band alignment, which is advantageous for the appearance of the excitonic Aharonov-Bohm effect.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000305116700005 Publication Date 2012-06-14  
  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 4 Open Access  
  Notes ; The authors thank B. Partoens for useful discussions. This work was supported by the EU NoE: SANDiE, the Ministry of Education and Science of Serbia, and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:98906 Serial 1477  
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Author Goldoni, G.; Peeters, F.M. doi  openurl
  Title (up) Hole subbands and effective masses in p-doped [113]-grown heterojunctions Type A1 Journal article
  Year 1995 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 51 Issue Pages 17806-17813  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos A1995RF85700056 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 3.736 Times cited 14 Open Access  
  Notes Approved CHEMISTRY, PHYSICAL 48/144 Q2 #  
  Call Number UA @ lucian @ c:irua:12195 Serial 1478  
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Author Kishore, V.V.R.; Čukarić, N.; Partoens, B.; Tadić, M.; Peeters, F.M. pdf  doi
openurl 
  Title (up) Hole subbands in freestanding nanowires : six-band versus eight-band k.p modelling Type A1 Journal article
  Year 2012 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 24 Issue 13 Pages 135302-135302,10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic structure of GaAs, InAs and InSb nanowires is studied using the six-band and the eight-band k.p models. The effect of the different Luttinger-like parameters (in the eight-band model) on the hole band structure is investigated. Although GaAs nanostructures are often treated within a six-band model because of the large bandgap, it is shown that an eight-band model is necessary for a correct description of its hole spectrum. The camel-back structure usually found in the six-band model is not always present in the eight-band model. This camel-back structure depends on the interaction between light and heavy holes, especially the ones with opposite spin. The latter effect is less pronounced in an eight-band model, but could be very sensitive to the Kane inter-band energy (E-P) value.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000302120100007 Publication Date 2012-03-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 13 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), Belgian Science Policy (IAP) and the Ministry of Education and Science of Serbia. ; Approved Most recent IF: 2.649; 2012 IF: 2.355  
  Call Number UA @ lucian @ c:irua:97763 Serial 1479  
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Author Chen, Y.; Shanenko, A.A.; Peeters, F.M. url  doi
openurl 
  Title (up) Hollow nanocylinder: multisubband superconductivity induced by quantum confinement Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 81 Issue 13 Pages 134523-134523:11  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Quantization of the transverse electron motion in high-quality superconducting metallic nanowires and nanofilms results in the formation of well-distinguished single-electron subbands. They shift in energy with changing thickness, which is known to cause quantum-size superconducting oscillations. The formation of multiple subbands results in a multigap structure induced by the interplay between quantum confinement and Andreev mechanism. We investigate multisubband superconductivity in a hollow nanocylinder by numerically solving the Bogoliubov-de Gennes equations. When changing the inner radius and thickness of the hollow nanocylinder, we find a crossover from an irregular pattern of quantum-size superconducting oscillations, typical of nanowires, to an almost regular regime, specific for superconducting nanofilms. At this crossover the multigap structure becomes degenerate. The ratio of the critical temperature to the energy gap increases and approaches its bulk value while being reduced by 20-30% due to Andreev-type states driven by quantum confinement in the irregular regime.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000277207900098 Publication Date 2010-04-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 21 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI), the Interuniversity Attraction Poles Programme, Belgian States, Belgian Science Policy (IAP) and the ESF-AQDJJ network. ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:95623 Serial 1481  
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Author Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D. url  doi
openurl 
  Title (up) Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems : ab initio study Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 89 Issue 5 Pages 054106-54109  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract In order to account explicitly for the existence of long-periodic layered structures and the strong structural relaxations in the most common binary and ternary alloys of the Bi-Sb-Te-Se system, we have developed a one-dimensional cluster expansion (CE) based on first-principles electronic structure calculations, which accounts for the Bi and Sb bilayer formation. Excellent interlayer distances are obtained with a van der Waals density functional. It is shown that a CE solely based on pair interactions is sufficient to provide an accurate description of the ground-state energies of Bi-Sb-Te-Se binary and ternary systems without making the data set of ab initio calculated structures unreasonably large. For the binary alloys A1−xQx (A=Sb, Bi; Q=Te, Se), a ternary CE yields an almost continuous series of (meta)stable structures consisting of consecutive A bilayers next to consecutive A2Q3 for 0<x<0.6. For x>0.6, the binary alloy segregates into pure Q and A2Q3. The Bi-Sb system is described by a quaternary CE and is found to be an ideal solid solution stabilized by entropic effects at T≠0 K but with an ordered structure of alternating Bi and Sb layers for x=0.5 at T=0 K. A quintuple CE is used for the ternary Bi-Sb-Te system, where stable ternary layered compounds with an arbitrary stacking of Sb2Te3, Bi2Te3, and Te-Bi-Te-Sb-Te quintuple units are found, optionally separated by mixed Bi/Sb bilayers. Electronic properties of the stable compounds were studied taking spin-orbit coupling into account.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000332420900001 Publication Date 2014-03-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 5 Open Access  
  Notes Fwo; Hercules Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:114910 Serial 1487  
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Author Peeters, F.M.; Devreese, J.T. doi  openurl
  Title (up) Hot magneto-phonon and electro-phonon resonances in heterostructures Type A1 Journal article
  Year 1992 Publication Semiconductor science and technology: B Abbreviated Journal Semicond Sci Tech  
  Volume 7 Issue Pages 15-20  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1992HL26200006 Publication Date 2002-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0268-1242;1361-6641; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.19 Times cited 12 Open Access  
  Notes Approved CHEMISTRY, MEDICINAL 9/59 Q1 # CHEMISTRY, MULTIDISCIPLINARY 40/163 Q1 # COMPUTER SCIENCE, INFORMATION SYSTEMS 6/144 Q1 # COMPUTER SCIENCE, INTERDISCIPLINARY 10/104 Q1 #  
  Call Number UA @ lucian @ c:irua:2897 Serial 1491  
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Author Reijniers, J.; Partoens, B.; Steckel, J.; Peremans, H. doi  openurl
  Title (up) HRTF measurement by means of unsupervised head movements with respect to a single fixed speaker Type A1 Journal article
  Year 2020 Publication Ieee Access Abbreviated Journal Ieee Access  
  Volume 8 Issue Pages 92287-92300  
  Keywords A1 Journal article; Mass communications; Engineering Management (ENM); Condensed Matter Theory (CMT); Co-Design of Cyber-Physical Systems (Cosys-Lab)  
  Abstract In a standard state-of-the-art measurement the head-related transfer function (HRTF) is obtained in an anechoic room with an elaborate setup involving multiple calibrated loudspeakers. In search for a simplified method that would open up the possibility for an HRTF measurement in a home environment, it has been suggested that this setup could be replaced with one with a single, fixed loudspeaker. In such a setup, the subject samples different directions by moving the head with respect to this loudspeaker, while the head movements are tracked in some way. In this paper, the feasibility of such an approach is studied. To this end, the HRTF is measured in an unmodified (non-anechoic) room by means of a single external speaker and a high resolution head tracking system. The differences between the dynamically obtained HRTF and the standard static HRTF are investigated, and are shown to be mostly due to variable torso reflections.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000539041600001 Publication Date 2020-05-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2169-3536 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.9 Times cited 4 Open Access  
  Notes ; This work was supported in part by the Research Foundation Flanders (FWO) under Grant G023619N, and in part by the Agency for Innovation and Entrepreneurship (VLAIO). ; Approved Most recent IF: 3.9; 2020 IF: 3.244  
  Call Number UA @ admin @ c:irua:170318 Serial 6539  
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Author Reijniers, J.; Peeters, F.M. doi  openurl
  Title (up) Hybrid ferromagnetic/semiconductor Hall effect device Type A1 Journal article
  Year 1998 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 73 Issue Pages 357-359  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000075275600027 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 35 Open Access  
  Notes Approved Most recent IF: 3.411; 1998 IF: 3.349  
  Call Number UA @ lucian @ c:irua:24171 Serial 1519  
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Author Peeters, F.M.; de Boeck, J. openurl 
  Title (up) Hybrid magnetic-semiconductor nanostructures Type H3 Book chapter
  Year 1999 Publication Abbreviated Journal  
  Volume Issue Pages 345-426  
  Keywords H3 Book chapter; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Academic Press Place of Publication New York 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:24150 Serial 1520  
Permanent link to this record
 

 
Author Jalali, H.; Khoeini, F.; Peeters, F.M.; Neek-Amal, M. doi  openurl
  Title (up) Hydration effects and negative dielectric constant of nano-confined water between cation intercalated MXenes Type A1 Journal article
  Year 2021 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 13 Issue 2 Pages 922-929  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Using electrochemical methods a profound enhancement of the capacitance of electric double layer capacitor electrodes was reported when water molecules are strongly confined into the two-dimensional slits of titanium carbide MXene nanosheets [A. Sugahara et al., Nat. Commun., 2019, 10, 850]. We study the effects of hydration on the dielectric properties of nanoconfined water and supercapacitance properties of the cation intercalated MXene. A model for the electric double layer capacitor is constructed where water molecules are strongly confined in two-dimensional slits of MXene. We report an abnormal dielectric constant and polarization of nano-confined water between MXene layers. We found that by decreasing the ionic radius of the intercalated cations and in a critical hydration shell radius the capacitance of the system increases significantly (similar or equal to 200 F g(-1)) which can be interpreted as a negative permittivity. This study builds a bridge between the fundamental understanding of the dielectric properties of nanoconfined water and the capability of using MXene films for supercapacitor technology, and in doing so provides a solid theoretical support for recent experiments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000610368100035 Publication Date 2020-12-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 3 Open Access Not_Open_Access  
  Notes ; ; Approved Most recent IF: 7.367  
  Call Number UA @ admin @ c:irua:176141 Serial 6690  
Permanent link to this record
 

 
Author Pizzochero, M.; Leenaerts, O.; Partoens, B.; Martinazzo, R.; Peeters, F.M. pdf  url
doi  openurl
  Title (up) Hydrogen adsorption on nitrogen and boron doped graphene Type A1 Journal article
  Year 2015 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 27 Issue 27 Pages 425502  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Hydrogen adsorption on boron and nitrogen doped graphene is investigated in detail by means of first-principles calculations. A comprehensive study is performed of the structural, electronic, and magnetic properties of chemisorbed hydrogen atoms and atom pairs near the dopant sites. The main effect of the substitutional atoms is charge doping which is found to greatly affect the adsorption process by increasing the binding energy at the sites closest to the substitutional species. It is also found that doping does not induce magnetism despite the odd number of electrons per atom introduced by the foreign species, and that it quenches the paramagnetic response of chemisorbed H atoms on graphene. Overall, the effects are similar for B and N doping, with only minor differences in the adsorption energetics due to different sizes of the dopant atoms and the accompanying lattice distortions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000362573500008 Publication Date 2015-10-06  
  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 20 Open Access  
  Notes This work was supported by the Flemish Science Foundation (FWO-Vl). MP gratefully acknowledges the Condensed Matter Theory group at Universiteit Antwerpen for the hospitality during his stay. Approved Most recent IF: 2.649; 2015 IF: 2.346  
  Call Number c:irua:128759 Serial 3971  
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Author Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B. doi  openurl
  Title (up) Hydrogen impurities and native defects in CdO Type A1 Journal article
  Year 2011 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 110 Issue 6 Pages 063521,1-063521,7  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract We have used first-principles calculations based on density functional theory to study point defects in CdO within the local density approximation and beyond (LDA+U). Hydrogen interstitials and oxygen vacancies are found to act as shallow donors and can be interpreted as the cause of conductivity in CdO. Hydrogen can also occupy an oxygen vacancy in its substitutional form and also acts as a shallow donor. Similar to what was found for ZnO and MgO, hydrogen creates a multicenter bond with its six oxygen neighbors in CdO. The charge neutrality level for native defects and hydrogen impurities has been calculated. It is shown that in the case of native defects, it is not uniquely defined. Indeed, this level depends highly on the chemical potentials of the species and one can obtain different values for different end states in the experiment. Therefore, a comparison with experiment can only be made if the chemical potentials of the species in the experiment are well defined. However, for the hydrogen interstitial defect, since this level is independent of the chemical potential of hydrogen, one can obtain a unique value for the charge neutrality level. We find that the Fermi level stabilizes at 0.43 eV above the conduction band minimum in the case of the hydrogen interstitial defect, which is in good agreement with the experimentally reported value of 0.4 eV.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000295619300041 Publication Date 2011-09-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 13 Open Access  
  Notes ; The authors gratefully acknowledge financial support from the IWT-Vlaanderen through the ISIMADE project, the FWO-Vlaanderen through Project G.0191.08 and the BOF-NOI of the University of Antwerp. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC. ; Approved Most recent IF: 2.068; 2011 IF: 2.168  
  Call Number UA @ lucian @ c:irua:93613 Serial 1533  
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Author Bekaert, J.; Petrov, M.; Aperis, A.; Oppeneer, P.M.; Milošević, M.V. url  doi
openurl 
  Title (up) Hydrogen-induced high-temperature superconductivity in two-dimensional materials : the example of hydrogenated monolayer MgB2 Type A1 Journal article
  Year 2019 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 123 Issue 7 Pages 077001  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Hydrogen-based compounds under ultrahigh pressure, such as the polyhydrides H3S and LaH10, superconduct through the conventional electron-phonon coupling mechanism to attain the record critical temperatures known to date. Here we exploit the intrinsic advantages of hydrogen to strongly enhance phonon-mediated superconductivity in a completely different system, namely, a two-dimensional material with hydrogen adatoms. We find that van Hove singularities in the electronic structure, originating from atomiclike hydrogen states, lead to a strong increase of the electronic density of states at the Fermi level, and thus of the electron-phonon coupling. Additionally, the emergence of high-frequency hydrogen-related phonon modes in this system boosts the electron-phonon coupling further. As a concrete example, we demonstrate the effect of hydrogen adatoms on the superconducting properties of monolayer MgB2, by solving the fully anisotropic Eliashberg equations, in conjunction with a first-principles description of the electronic and vibrational states, and their coupling. We show that hydrogenation leads to a high critical temperature of 67 K, which can be boosted to over 100 K by biaxial tensile strain.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000480611900017 Publication Date 2019-08-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited 42 Open Access  
  Notes ; This work was supported by TOPBOF-UAntwerp, Research Foundation-Flanders (FWO), the Swedish Research Council (VR), the Rontgen-Angstrom Cluster, and the EU-COST Action CA16218. J.B. acknowledges support of a postdoctoral fellowship of the FWO. The computational resources and services used for the first principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. Eliashberg theory calculations were supported through the Swedish National Infrastructure for Computing (SNIC). We would also like to acknowledge useful discussions with Bart Partoens, Jacques Tempere, and Matthieu Verstraete. ; Approved Most recent IF: 8.462  
  Call Number UA @ admin @ c:irua:161816 Serial 5415  
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Author Varley, J.B.; Peelaers, H.; Janotti, A.; van de Walle, C.G. pdf  doi
openurl 
  Title (up) Hydrogenated cation vacancies in semiconducting oxides Type A1 Journal article
  Year 2011 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 23 Issue 33 Pages 334212,1-334212,9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using first-principles calculations we have studied the electronic and structural properties of cation vacancies and their complexes with hydrogen impurities in SnO2, In2O3 and β-Ga2O3. We find that cation vacancies have high formation energies in SnO2 and In2O3 even in the most favorable conditions. Their formation energies are significantly lower in β-Ga2O3. Cation vacancies, which are compensating acceptors, strongly interact with H impurities resulting in complexes with low formation energies and large binding energies, stable up to temperatures over 730 °C. Our results indicate that hydrogen has beneficial effects on the conductivity of transparent conducting oxides: it increases the carrier concentration by acting as a donor in the form of isolated interstitials, and by passivating compensating acceptors such as cation vacancies; in addition, it potentially enhances carrier mobility by reducing the charge of negatively charged scattering centers. We have also computed vibrational frequencies associated with the isolated and complexed hydrogen, to aid in the microscopic identification of centers observed by vibrational spectroscopy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000294060600014 Publication Date 2011-08-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 125 Open Access  
  Notes ; We gratefully acknowledge useful discussions with M D Mc-Cluskey, O Bierwagen and J Speck. The work was supported by the NSF MRSEC Program (DMR05-20415), the Flemish Science Foundation (FWO-VI), the Belgian American Educational Foundation, and by Saint-Gobain Research, and made use of computing facilities at CNSI (NSF grant No. CHE-0321368), TeraGrid and TACC (NSF grant No. DMR070072N), and NERSC (DOE Office of Science Contract No. DE-AC02-05CH11231). ; Approved Most recent IF: 2.649; 2011 IF: 2.546  
  Call Number UA @ lucian @ c:irua:92415 Serial 1534  
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Author Leenaerts, O.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title (up) Hydrogenation of bilayer graphene and the formation of bilayer graphane from first principles Type A1 Journal article
  Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 80 Issue 24 Pages 245422,1-245422,6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We performed ab initio density-functional theory calculations to investigate the process of hydrogenation of a bilayer of graphene. 50% hydrogen coverage is possible in case that the hydrogen atoms are allowed to adsorb on both sides of the bilayer. In this case interlayer chemical bonding occurs which stabilizes the structure. At maximum coverage, a bilayer of graphane is formed which has properties that are similar to those of a single layer of graphane.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000273229200126 Publication Date 2009-12-21  
  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 113 Open Access  
  Notes Approved Most recent IF: 3.836; 2009 IF: 3.475  
  Call Number UA @ lucian @ c:irua:80578 Serial 1535  
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Author Munarin, F.F.; Nelissen, K.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M. url  doi
openurl 
  Title (up) Hysteresis and reentrant melting of a self-organized system of classical particles confined in a parabolic trap Type A1 Journal article
  Year 2008 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E  
  Volume 77 Issue Pages 031608,1-8  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000254539700087 Publication Date 2008-04-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.366 Times cited 11 Open Access  
  Notes Approved Most recent IF: 2.366; 2008 IF: 2.508  
  Call Number UA @ lucian @ c:irua:69640 Serial 1544  
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Author Deo, P.S.; Schweigert, V.A.; Peeters, F.M. doi  openurl
  Title (up) Hysteresis in mesoscopic superconducting disks: the Bean-Livingston barrier Type A1 Journal article
  Year 1999 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 59 Issue Pages 6039-6042  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000079254300016 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 59 Open Access  
  Notes Approved Most recent IF: 3.836; 1999 IF: NA  
  Call Number UA @ lucian @ c:irua:24156 Serial 1545  
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Author Deylgat, E.; Chen, E.; Fischetti, M.V.; Sorée, B.; Vandenberghe, W.G. pdf  doi
openurl 
  Title (up) Image-force barrier lowering in top- and side-contacted two-dimensional materials Type A1 Journal article
  Year 2022 Publication Solid state electronics Abbreviated Journal Solid State Electron  
  Volume 198 Issue Pages 108458-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We compare the image-force barrier lowering (IFBL) and calculate the resulting contact resistance for four different metal-dielectric-two-dimensional (2D) material configurations. We analyze edge contacts in three different geometries (a homogeneous dielectric throughout, including the 2D layer; a homogeneous dielectric surrounding the 2D layer, both ungated and back gated) and also a top-contact assuming a homogeneous dielectric. The image potential energy of each configuration is determined and added to the Schottky energy barrier which is calculated assuming a textbook Schottky potential. For each configuration, the contact resistivity is calculated using the WKB approximation and the effective mass approximation using either SiO2 or HfO2 as the surrounding dielectric. We obtain the lowest contact resistance of 1 k Omega mu m by n-type doping an edge contacted transition metal-dichalcogenide (TMD) monolayer, sandwiched between SiO2 dielectric, with similar to 1012 cm-2 donor atoms. When this optimal configuration is used, the contact resistance is lowered by a factor of 50 compared to the situation when the IFBL is not considered.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000876289800003 Publication Date 2022-09-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0038-1101 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.7 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 1.7  
  Call Number UA @ admin @ c:irua:191556 Serial 7312  
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Author Embon, L.; Anahory, Y.; Jelić, Z.L.; Lachman, E.O.; Myasoedov, Y.; Huber, M.E.; Mikitik, G.P.; Silhanek, A.V.; Milošević, M.V.; Gurevich, A.; Zeldov, E. url  doi
openurl 
  Title (up) Imaging of super-fast dynamics and flow instabilities of superconducting vortices Type A1 Journal article
  Year 2017 Publication Nature communications Abbreviated Journal Nat Commun  
  Volume 8 Issue Pages 85  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Quantized magnetic vortices driven by electric current determine key electromagnetic properties of superconductors. While the dynamic behavior of slow vortices has been thoroughly investigated, the physics of ultrafast vortices under strong currents remains largely unexplored. Here, we use a nanoscale scanning superconducting quantum interference device to image vortices penetrating into a superconducting Pb film at rates of tens of GHz and moving with velocities of up to tens of km/s, which are not only much larger than the speed of sound but also exceed the pair-breaking speed limit of superconducting condensate. These experiments reveal formation of mesoscopic vortex channels which undergo cascades of bifurcations as the current and magnetic field increase. Our numerical simulations predict metamorphosis of fast Abrikosov vortices into mixed Abrikosov-Josephson vortices at even higher velocities. This work offers an insight into the fundamental physics of dynamic vortex states of superconductors at high current densities, crucial for many applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000405900400002 Publication Date 2017-07-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.124 Times cited 124 Open Access  
  Notes ; We would like to thank M.L. Rappaport for fruitful discussions and technical support. This work was supported by the US-Israel Binational Science Foundation (BSF) grant No. 2014155 and the Israel Science Foundation grant No. 132/14. A.G. was also supported by the United States Department of Energy under Grant No. DE-SC0010081. M.V.M. acknowledges support from Research Foundation-Flanders (FWO). The work of Z.L.J. and A.V.S. was partially supported by “Mandat d'Impulsion Scientifique” MIS F.4527.13 of the F.R.S.-FNRS. This work benefited from the support of COST action MP-1201. ; Approved Most recent IF: 12.124  
  Call Number UA @ lucian @ c:irua:144832 Serial 4720  
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Author Bizindavyi, J.; Verhulst, A.S.; Sorée, B.; Groeseneken, G. openurl 
  Title (up) Impact of calibrated band-tails on the subthreshold swing of pocketed TFETs Type P1 Proceeding
  Year 2018 Publication Conference digest T2 – 76th Device Research Conference (DRC), JUN 24-27, 2018, Santa Barbara, CA Abbreviated Journal  
  Volume Issue Pages  
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Ieee Place of Publication New york Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-1-5386-3028-0 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:153780 Serial 5106  
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Author Bizindavyi, J.; Verhulst, A.S.; Sorée, B.; Groeseneken, G. doi  openurl
  Title (up) Impact of calibrated band-tails on the subthreshold swing of pocketed TFETs Type P1 Proceeding
  Year 2018 Publication Conference digest T2 – 76th Device Research Conference (DRC), JUN 24-27, 2018, Santa Barbara, CA Abbreviated Journal  
  Volume Issue Pages  
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000444728400086 Publication Date 2018-09-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-1-5386-3028-0 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:153780 Serial 5217  
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Author Li, Z.; Covaci, L.; Marsiglio, F. url  doi
openurl 
  Title (up) Impact of Dresselhaus versus Rashba spin-orbit coupling on the Holstein polaron Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 85 Issue 20 Pages 205112-205112,5  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We utilize an exact variational numerical procedure to calculate the ground-state properties of a polaron in the presence of Rashba and linear Dresselhaus spin-orbit coupling. We find that when the linear Dresselhaus spin-orbit coupling approaches the Rashba spin-orbit coupling, the Van Hove singularity in the density of states will be shifted away from the bottom of the band and finally disappear when the two spin-orbit couplings are tuned to be equal. The effective mass will be suppressed; the trend will become more significant for low phonon frequency. The presence of two dominant spin-orbit couplings will make it possible to tune the effective mass with more varied observables.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000303794900003 Publication Date 2012-05-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 18 Open Access  
  Notes ; This work was supported in part by the Natural Sciences and Engineering Research Council of Canada (NSERC), by ICORE (Alberta), by the Flemish Science Foundation (FWO-Vl), and by the Canadian Institute for Advanced Research (CIfAR). ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:99121 Serial 1558  
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Author Vandenberghe, W.G.; Sorée, B.; Magnus, W.; Groeseneken, G.; Fischetti, M.V. doi  openurl
  Title (up) Impact of field-induced quantum confinement in tunneling field-effect devices Type A1 Journal article
  Year 2011 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 98 Issue 14 Pages 143503,1-143503,3  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Being the working principle of a tunnel field-effect transistor, band-to-band tunneling is given a rigorous quantum mechanical treatment to incorporate confinement effects, multiple electron and hole valleys, and interactions with phonons. The model reveals that the strong band bending near the gate dielectric, required to create short tunnel paths, results in quantization of the energy bands. Comparison with semiclassical models reveals a big shift in the onset of tunneling. The effective mass difference of the distinct valleys is found to reduce the subthreshold swing steepness.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000289297800074 Publication Date 2011-04-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 76 Open Access  
  Notes ; The authors acknowledge Anne Verhulst for useful discussions. William Vandenberghe gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by IMEC's Industrial Affiliation Program. ; Approved Most recent IF: 3.411; 2011 IF: 3.844  
  Call Number UA @ lucian @ c:irua:89297 Serial 1559  
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Author Li, Z.; Covaci, L.; Berciu, M.; Baillie, D.; Marsiglio, F. url  doi
openurl 
  Title (up) Impact of spin-orbit coupling on the Holstein polaron Type A1 Journal article
  Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 83 Issue 19 Pages 195104-195104,9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We utilize an exact variational numerical procedure to calculate the ground state properties of a polaron in the presence of a Rashba-like spin-orbit interaction. Our results corroborate previous work performed with the momentum average approximation and with weak-coupling perturbation theory. We find that spin-orbit coupling increases the effective mass in the regime with weak electron-phonon coupling, and decreases the effective mass in the regimes of intermediate and strong electron-phonon coupling. Analytical strong-coupling perturbation theory results confirm our numerical results in the small-polaron regime. A large amount of spin-orbit coupling can lead to a significant lowering of the polaron effective mass.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000290162500001 Publication Date 2011-05-03  
  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 9 Open Access  
  Notes ; This work was supported in part by the Natural Sciences and Engineering Research Council of Canada (NSERC), by ICORE (Alberta), by Alberta Ingenuity, by the Flemish Science Foundation (FWO-Vl), and by the Canadian Institute for Advanced Research (CIfAR). ; Approved Most recent IF: 3.836; 2011 IF: 3.691  
  Call Number UA @ lucian @ c:irua:89718 Serial 1561  
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Author Shanenko, A.A. url  doi
openurl 
  Title (up) Imperfect fermi gas : kinetic and interaction energies Type A1 Journal article
  Year 2004 Publication Physical review : A : atomic, molecular and optical physics Abbreviated Journal Phys Rev A  
  Volume 70 Issue 6 Pages 063618-13  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A uniform ground-state three-dimensional Fermi gas with short-range repulsive pairwise interaction is under consideration. Its kinetic and interaction energies are calculated up to the second order of the expansion in the gas parameter. Similar to recent results for an interacting Bose gas, the quantities in question are found to depend on the pairwise interaction through two characteristic lengths: the former, a, is the s-wave scattering length, and the latter, b, is related to a by b=a-m(partial derivativea/partial derivativem), where m stands for the fermion mass. To control the results, we proceed in two independent ways. The first involves the Hellmann-Feynman theorem applied to derive the kinetic and interaction energies from the total-energy expansion in the gas parameter first found by Huang and Yang. The second way operates with in-medium pair wave functions and allows one to calculate the quantities of interest “from scratch.” The results of the present investigation, taken together with those of the recent consideration of a dilute Bose gas, make it possible to conclude that the pairwise interaction in a quantum gas has an essential and nontrivial effect on the kinetic energy, which is not the case for a classical many-particle system.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000226418900116 Publication Date 2004-12-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1050-2947;1094-1622; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.925 Times cited Open Access  
  Notes Approved Most recent IF: 2.925; 2004 IF: 2.902  
  Call Number UA @ lucian @ c:irua:103196 Serial 1562  
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Author Verreck, D.; Verhulst, A.S.; Sorée, B.; Collaert, N.; Mocuta, A.; Thean, A.; Groeseneken, G. doi  openurl
  Title (up) Improved source design for p-type tunnel field-effect transistors : towards truly complementary logic Type A1 Journal article
  Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 105 Issue 24 Pages 243506  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Complementary logic based on tunnel field-effect transistors (TFETs) would drastically reduce power consumption thanks to the TFET's potential to obtain a sub-60 mV/dec subthreshold swing (SS). However, p-type TFETs typically do not meet the performance of n-TFETs for direct bandgap III-V configurations. The p-TFET SS stays well above 60 mV/dec, due to the low density of states in the conduction band. We therefore propose a source configuration in which a highly doped region is maintained only near the tunnel junction. In the remaining part of the source, the hot carriers in the exponential tail of the Fermi-Dirac distribution are blocked by reducing the doping degeneracy, either with a source section with a lower doping concentration or with a heterostructure. We apply this concept to n-p-i-p configurations consisting of In0.53Ga0.47As and an InP-InAs heterostructure. 15-band quantum mechanical simulations predict that the configurations with our source design can obtain sub-60 mV/dec SS, with an on-current comparable to the conventional source design. (C) 2014 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000346643600076 Publication Date 2014-12-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951;1077-3118; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 10 Open Access  
  Notes ; D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by imec's Industrial Affiliation Program. ; Approved Most recent IF: 3.411; 2014 IF: 3.302  
  Call Number UA @ lucian @ c:irua:122798 Serial 1568  
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Author Hilber, W.; Helm, M.; Peeters, F.M.; Alavi, K.; Pathak, R.N. url  doi
openurl 
  Title (up) Impurity band and magnetic-field-induced metal-insulator transition in a doped GaAs/AlxGa1-xAs superlattice Type A1 Journal article
  Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 53 Issue 11 Pages 6919-6922  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A combination of infrared spectroscopy and magnetotransport is used to investigate the impurity band and the magnetic-field-induced metal-insulator transition in n-type GaAs/AlxGa1-xAs superlattices. The dropping of the Fermi level from the conduction band into the impurity band upon increasing magnetic field is observed in a sample doped to n=4n(c), where n(c) is the critical density according to the Mott criterion. The metal-insulator transition takes place while the Fermi level is in the impurity band, with no qualitative change from the metallic to the insulating side. Due to the anisotropy of the superlattice band structure, the metal-insulator transition is shifted to higher magnetic field, when the magnetic field is tilted away from the growth axis towards the layer planes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos A1996UC74000018 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 3.736 Times cited 14 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:99676 Serial 1571  
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Author Zha, G.-Q.; Chen, Y.; Peeters, F.M.; Zhou, S.-P. url  doi
openurl 
  Title (up) Impurity-induced modulations of orders in d-wave superconductors Type A1 Journal article
  Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 80 Issue 6 Pages 064518,1-064518,5  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By using a model Hamiltonian with competing antiferromagnetic (AFM) and d-wave superconductivity orders, the impurity-induced structures of orders in d-wave superconductors is investigated. We find that the transition between one-dimensional stripe and two-dimensional checkerboardlike modulation around a single nonmagnetic impurity can take place as the strength of the AFM interaction U or the impurity scattering strength V0 is varied. It is also found that the impurity-induced stripe can first transit to checkerboardlike modulation and then disappears with increasing the next-nearest-neighbor hopping strength |t|. Phase diagrams of V0 versus U and |t| for various modulations of the spin order are presented. In addition, the quantum interference effect on the modulations of orders due to two strong nonmagnetic impurities is briefly examined, and the checkerboardlike and quasistripe patterns can occur depending on the sites where two impurities are placed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000269638800074 Publication Date 2009-09-01  
  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 3 Open Access  
  Notes Approved Most recent IF: 3.836; 2009 IF: 3.475  
  Call Number UA @ lucian @ c:irua:78293 Serial 1572  
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Author Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D. pdf  url
doi  openurl
  Title (up) In pursuit of barrierless transition metal dichalcogenides lateral heterojunctions Type A1 Journal article
  Year 2018 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 29 Issue 29 Pages 295202  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract There is an increasing need to understand interfaces between two-dimensional materials to realize an energy efficient boundary with low contact resistance and small heat dissipation. In this respect, we investigated the impact of charge and substitutional atom doping on the electronic transport properties of the hybrid metallic-semiconducting lateral junctions, formed between metallic (1T and 1T(d)) and semiconducting (1H) phases of MoS2 by means of first-principles and non-equilibrium Green function formalism based calculations. Our results clearly revealed the strong influence of the type of interface and crystallographic orientation of the metallic phase on the transport properties of these systems. The Schottky barrier height, which is the dominant mechanism for contact resistance, was found to be as large as 0.63 eV and 1.19 eV for holes and electrons, respectively. We found that armchair interfaces are more conductive as compared to zigzag termination due to the presence of the metallic Mo zigzag chains that are directed along the transport direction. In order to manipulate these barrier heights we investigated the influence of electron doping of the metallic part (i.e. 1T(d) -MoS2). We observed that the Fermi level of the hybrid system moves towards the conduction band of semiconducting 1H-MoS2 due to filling of 4d-orbital of metallic MoS2, and thus the Schottky barrier for electrons decreases considerably. Besides electron doping, we also investigated the effect of substitutional doping of metallic MoS2 by replacing Mo atoms with either Re or Ta. Due to its valency, Re (Ta) behaves as a donor (acceptor) and reduces the Schottky barrier for electrons (holes). Since Re and Ta based transition metal dichalcogenides crystallize in either the 1T(d) or 1T phase, substitutional doping with these atom favors the stabilization of the 1T(d) phase of MoS2. Co-doping of hybrid structure results in an electronic structure, which facilities easy dissociation of excitons created in the 1H part.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000432823800002 Publication Date 2018-05-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 4 Open Access  
  Notes ; This work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from TUBITAK (Grant No. 115F024). ; Approved Most recent IF: 3.44  
  Call Number UA @ lucian @ c:irua:151451UA @ admin @ c:irua:151451 Serial 5029  
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