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Author Li, L.L.; Gillen, R.; Palummo, M.; Milošević, M.V.; Peeters, F.M. url  doi
openurl 
  Title Strain tunable interlayer and intralayer excitons in vertically stacked MoSe₂/WSe₂ heterobilayers Type A1 Journal article
  Year (down) 2023 Publication Applied physics letters Abbreviated Journal  
  Volume 123 Issue 3 Pages 033102-33106  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recently, interlayer and intralayer excitons in transition metal dichalcogenide heterobilayers have been studied both experimentally and theoretically. In spite of a growing interest, these layer-resolved excitons in the presence of external stimuli, such as strain, remain not fully understood. Here, using density-functional theory calculations with many-body effects, we explore the excitonic properties of vertically stacked MoSe2/WSe2 heterobilayer in the presence of in-plane biaxial strain of up to 5%. We calculate the strain dependence of exciton absorption spectrum, oscillator strength, wave function, and binding energy by solving the Bethe-Salpeter equation on top of the standard GW approach. We identify the interlayer and intralayer excitons by analyzing their electron-hole weights and spatial wave functions. We show that with the increase in strain magnitude, the absorption spectrum of the interlayer and intralayer excitons is red-shifted and re-ordered, and the binding energies of these layer-resolved excitons decrease monotonically and almost linearly. We derive the sensitivity of exciton binding energy to the applied strain and find that the intralayer excitons are more sensitive to strain than the interlayer excitons. For instance, a sensitivity of -7.9 meV/% is derived for the intra-MoSe2-layer excitons, which is followed by -7.4 meV/% for the intra-WSe2-layer excitons, and by -4.2 meV/% for the interlayer excitons. Our results indicate that interlayer and intralayer excitons in vertically stacked MoSe2/WSe2 heterobilayer are efficiently tunable by in-plane biaxial strain.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001033604700003 Publication Date 2023-07-20  
  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 4 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 4; 2023 IF: 3.411  
  Call Number UA @ admin @ c:irua:198382 Serial 8823  
Permanent link to this record
 

 
Author Dong, H.M.; Tao, Z.H.; Duan, Y.F.; Li, L.L.; Huang, F.; Peeters, F.M. url  doi
openurl 
  Title Substrate dependent terahertz magneto-optical properties of monolayer WS2 Type A1 Journal article
  Year (down) 2021 Publication Optics Letters Abbreviated Journal Opt Lett  
  Volume 46 Issue 19 Pages 4892-4895  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Terahertz (THz) magneto-optical (MO) properties of monolayer (ML) tungsten disulfide (WS2), placed on different substrates and subjected to external magnetic fields, are studied using THz time-domain spectroscopy (TDS). We find that the THz MO conductivity exhibits a nearly linear response in a weak magnetic field, while a distinctly nonlinear/oscillating behavior is found in strong magnetic fields owing to strong substrate-induced random impurity scattering and interactions. The THz MO response of ML WS2 depends sensitively on the choice of the substrates, which we trace back to electronic localization and the impact of the substrates on the Landau level (LL) spectrum. Our results provide an in-depth understanding of the THz MO properties of ML WS2/substrate systems, especially the effect of substrates, which can be utilized to realize atomically thin THz MO nano-devices. (C) 2021 Optical Society of America  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000702746400048 Publication Date 2021-09-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0146-9592 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.416 Times cited 1 Open Access OpenAccess  
  Notes Approved Most recent IF: 3.416  
  Call Number UA @ admin @ c:irua:182526 Serial 7023  
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Author Yan, X.F.; Chen, Q.; Li, L.L.; Guo, H.Z.; Peng, J.Z.; Peeters, F.M. pdf  url
doi  openurl
  Title High performance piezotronic spin transistors using molybdenum disulfide nanoribbon Type A1 Journal article
  Year (down) 2020 Publication Nano Energy Abbreviated Journal Nano Energy  
  Volume 75 Issue Pages 104953  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Two-dimensional (2D) materials are promising candidates for atomic-scale piezotronics and piezophototronics. Quantum edge states show fascinating fundamental physics such as nontrivial topological behavior and hold promising practical applications for low-power electronic devices. Here, using the tight-binding approach and quantum transport simulations, we investigate the piezotronic effect on the spin polarization of edge states in a zigzag-terminated monolayer MoS2 nanoribbon. We find that the strain-induced piezoelectric potential induces a phase transition of edge states from metal to semiconductor. However, in the presence of exchange field, edge states become semi-metallic with significant spin splitting and polarization that can be tuned by external strain. We show that quantum transport conductance exhibits a 100% spin polarization over a wide range of strain magnitudes. This effect is used in a propose prototype of piezotronic spin transistor. Our results provide a fundamental understanding of the piezotronic effect on edge states in zigzag monolayer MoS2 nanoribbons and are relevant for designing high-performance piezotronic spin devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000560729200011 Publication Date 2020-05-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2211-2855 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 17.6 Times cited 17 Open Access  
  Notes ; This work was supported by Hunan Provincial Natural Science Foundation of China (Nos. 2015JJ2040, 2018JJ2078), Scientific Research Fund of Hunan Provincial Education Department (19A106), and the Funeral Service Foundation (FWO-VI). ; Approved Most recent IF: 17.6; 2020 IF: 12.343  
  Call Number UA @ admin @ c:irua:171123 Serial 6535  
Permanent link to this record
 

 
Author Dong, H.M.; Tao, Z.H.; Li, L.L.; Huang, F.; Xu, W.; Peeters, F.M. pdf  doi
openurl 
  Title Substrate dependent terahertz response of monolayer WS₂ Type A1 Journal article
  Year (down) 2020 Publication Applied Physics Letters Abbreviated Journal Appl Phys Lett  
  Volume 116 Issue 20 Pages 1-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate experimentally the terahertz (THz) optoelectronic properties of monolayer (ML) tungsten disulfide (WS2) placed on different substrates using THz time-domain spectroscopy (TDS). We find that the THz optical response of n-type ML WS2 depends sensitively on the choice of the substrate. This dependence is found to be a consequence of substrate induced charge transfer, extra scattering centers, and electronic localization. Through fitting the experimental results with the Drude-Smith formula, we can determine the key sample parameters (e.g., the electronic relaxation time, electron density, and electronic localization factor) of ML WS2 on different substrates. The temperature dependence of these parameters is examined. Our results show that the THz TDS technique is an efficient non-contact method that can be utilized to characterize and investigate the optoelectronic properties of nano-devices based on ML WS2.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000536282300001 Publication Date 2020-05-20  
  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 4 Times cited 10 Open Access  
  Notes ; This work was supported by the Fundamental Research Funds for the Central Universities (Grant No. 2018GF09) and by the National Natural Science foundation of China (Nos. U1930116 and 11574319). ; Approved Most recent IF: 4; 2020 IF: 3.411  
  Call Number UA @ admin @ c:irua:170255 Serial 6620  
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Author Li, L.L.; Bacaksiz, C.; Nakhaee, M.; Pentcheva, R.; Peeters, F.M.; Yagmurcukardes, M. url  doi
openurl 
  Title Single-layer Janus black arsenic-phosphorus (b-AsP): optical dichroism, anisotropic vibrational, thermal, and elastic properties Type A1 Journal article
  Year (down) 2020 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 101 Issue 13 Pages 134102-134109  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By using density functional theory (DFT) calculations, we predict a puckered, dynamically stable Janus single-layer black arsenic-phosphorus (b-AsP), which is composed of two different atomic sublayers, arsenic and phosphorus atoms. The calculated phonon spectrum reveals that Janus single-layer b-AsP is dynamically stable with either pure or coupled optical phonon branches arising from As and P atoms. The calculated Raman spectrum indicates that due to the relatively strong P-P bonds, As atoms have no contribution to the highfrequency optical vibrations. In addition, the orientation-dependent isovolume heat capacity reveals anisotropic contributions of LA and TA phonon branches to the low-temperature thermal properties. Unlike pristine single layers of b-As and b-P, Janus single-layer b-AsP exhibits additional out-of-plane asymmetry which leads to important consequences for its electronic, optical, and elastic properties. In contrast to single-layer b-As, Janus single-layer b-AsP is found to possess a direct band gap dominated by the P atoms. Moreover, real and imaginary parts of the dynamical dielectric function, including excitonic effects, reveal the highly anisotropic optical feature of the Janus single-layer. A tight-binding (TB) model is also presented for Janus single-layer b-AsP, and it is shown that, with up to seven nearest hoppings, the TB model reproduces well the DFT band structure in the low-energy region around the band gap. This TB model can be used in combination with the Green's function approach to study, e.g., quantum transport in finite systems based on Janus single-layer b-AsP. Furthermore, the linear-elastic properties of Janus single-layer b-AsP are investigated, and the orientation-dependent in-plane stiffness and Poisson ratio are calculated. It is found that the Janus single layer exhibits strong in-plane anisotropy in its Poisson ratio much larger than that of single-layer b-P. This Janus single layer is relevant for promising applications in optical dichroism and anisotropic nanoelasticity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000524531900001 Publication Date 2020-04-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited 30 Open Access  
  Notes ; This work was supported by the German Science Foundation (DFG) within SFB/TRR80 (project G3) and the FLAGERA project TRANS-2D-TMD. M.Y. was supported by a postdoctoral fellowship from the Flemish Science Foundation (FWO-Vl). Computational resources were provided by the Flemish Supercomputer Center (VSC) and Leibniz Supercomputer Centrum (project pr87ro). ; Approved Most recent IF: 3.7; 2020 IF: 3.836  
  Call Number UA @ admin @ c:irua:168554 Serial 6602  
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Author Shah, N.A.; Li, L.L.; Mosallanejad, V.; Peeters, F.M.; Guo, G.-P. pdf  url
doi  openurl
  Title Transport characteristics of multi-terminal pristine and defective phosphorene systems Type A1 Journal article
  Year (down) 2019 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 30 Issue 45 Pages 455705  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Atomic vacancies and nanopores act as local scattering centers and modify the transport properties of charge carriers in phosphorene nanoribbons (PNRs). We investigate the influence of such atomic defects on the electronic transport of multi-terminal PNR. We use the non-equilibrium Green's function approach within the tight-binding framework to calculate the transmission coefficient and the conductance. Terminals induce band mixing resulting in oscillations in the conductance. In the presence of atomic vacancies and nanopores the conductance between non-axial terminals exhibit constructive scattering, which is in contrast to mono-axial two-terminal systems where the conductance exhibits destructive scattering. This can be understood from the spatial local density of states of the transport modes in the system. Our results provide fundamental insights into the electronic transport in PNR-based multi-terminal systems and into the ability of atomic defects and nanopores through tuning the transport properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000483049100001 Publication Date 2019-08-07  
  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 7 Open Access  
  Notes ; This work was supported by the National Key Research and Development Program of China (Grant No. 2016YFA0301700), the NNSFC (Grant No. 11625419), the Strategic Priority Research Program of the CAS (Grant Nos. XDB24030601 and XDB30000000), the Anhui initiative in Quantum information Technologies (Grants No. AHY080000), and the Flemish Science Foundation (FWO-Vl). This work was also supported by the Chinese Academy of Sciences and the World Academy of Science for the advancement of science in developing countries. ; Approved Most recent IF: 3.44  
  Call Number UA @ admin @ c:irua:162760 Serial 5429  
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Author Chen, Q.; Li, L.L.; Peeters, F.M. pdf  url
doi  openurl
  Title Inner and outer ring states of MoS2 quantum rings : energy spectrum, charge and spin currents Type A1 Journal article
  Year (down) 2019 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 125 Issue 24 Pages 244303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the energy levels and persistent currents of MoS2 quantum rings having different shapes and edge types in the presence of a perpendicular magnetic field by means of the tight-binding approach. We find states localized at the inner and outer boundaries of the ring. These energy levels exhibit different magnetic field dependences for the inner and outer ring states due to their different localization properties. They both exhibit the usual Aharanov-Bohm oscillations but with different oscillation periods. In the presence of spin-orbit coupling, we show distinct spin and charge persistent currents for inner and outer ring states. We find well-defined spin currents with negligibly small charge currents. This is because the local currents of spin-up and -down states flow in opposite directions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000474439600026 Publication Date 2019-06-25  
  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 ; This work was supported by the Hunan Provincial Natural Science Foundation of China (Nos. 2015JJ2040, 2018JJ2080, and 2018JJ4047), the National Natural Science Foundation of China (NNSFC) (No. 51502087), the Scientific Research Fund of Hunan Provincial Education Department (Nos. 15A042, 15B056, and 17B060), and the Flemish Science Foundation (FWO-VI). ; Approved Most recent IF: 2.068  
  Call Number UA @ admin @ c:irua:161309 Serial 5417  
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Author Li, L.L.; Peeters, F.M. url  doi
openurl 
  Title Strain engineered linear dichroism and Faraday rotation in few-layer phosphorene Type A1 Journal article
  Year (down) 2019 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 114 Issue 24 Pages 243102  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate theoretically the linear dichroism and the Faraday rotation of strained few-layer phosphorene, where strain is applied uniaxially along the armchair or zigzag direction of the phosphorene lattice. We calculate the optical conductivity tensor of uniaxially strained few-layer phosphorene by means of the Kubo formula within the tight-binding approach. We show that the linear dichroism and the Faraday rotation of few-layer phosphorene can be significantly modulated by the applied strain. The modulation depends strongly on both the magnitude and direction of strain and becomes more pronounced with increasing number of phosphorene layers. Our results are relevant for mechano-optoelectronic applications based on optical absorption and Hall effects in strained few-layer phosphorene.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000472599100029 Publication Date 2019-06-17  
  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 11 Open Access  
  Notes ; This work was financially supported by the Flemish Science Foundation (FWO-Vl) and by the FLAG-ERA Project TRANS-2D-TMD. ; Approved Most recent IF: 3.411  
  Call Number UA @ admin @ c:irua:161327 Serial 5428  
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Author Li, L.L.; Partoens, B.; Xu, W.; Peeters, F.M. pdf  url
doi  openurl
  Title Electric-field modulation of linear dichroism and Faraday rotation in few-layer phosphorene Type A1 Journal article
  Year (down) 2019 Publication 2D materials Abbreviated Journal 2D Mater  
  Volume 6 Issue 1 Pages 015032  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Electro-optical modulators, which use an electric voltage (or an electric field) to modulate a beam of light, are essential elements in present-day telecommunication devices. Using a self-consistent tight-binding approach combined with the standard Kubo formula, we show that the optical conductivity and the linear dichroism of few-layer phosphorene can be modulated by a perpendicular electric field. We find that the field-induced charge screening plays a significant role in modulating the optical conductivity and the linear dichroism. Distinct absorption peaks are induced in the conductivity spectrum due to the strong quantum confinement along the out-of-plane direction and to the field-induced forbidden-to-allowed transitions. The field modulation of the linear dichroism becomes more pronounced with increasing number of phosphorene layers. We also show that the Faraday rotation is present in few-layer phosphorene even in the absence of an external magnetic field. This optical Hall effect is induced by the reduced lattice symmetry of few-layer phosphorene. The Faraday rotation is greatly influenced by the field-induced charge screening and is strongly dependent on the strength of perpendicular electric field and on the number of phosphorene layers.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000454321100002 Publication Date 2018-11-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.937 Times cited 19 Open Access  
  Notes ; This work was financially supported by the Flemish Science Foundation (FWO-Vl) and by the FLAG-ERA project TRANS-2D-TMD. ; Approved Most recent IF: 6.937  
  Call Number UA @ admin @ c:irua:156776 Serial 5207  
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Author Li, L.L.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Tuning the electronic properties of gated multilayer phosphorene : a self-consistent tight-binding study Type A1 Journal article
  Year (down) 2018 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 97 Issue 15 Pages 155424  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By taking account of the electric-field-induced charge screening, a self-consistent calculation within the framework of the tight-binding approach is employed to obtain the electronic band structure of gated multilayer phosphorene and the charge densities on the different phosphorene layers. We find charge density and screening anomalies in single-gated multilayer phosphorene and electron-hole bilayers in dual-gated multilayer phosphorene. Due to the unique puckered lattice structure, both intralayer and interlayer charge screenings are important in gated multilayer phosphorene. We find that the electric-field tuning of the band structure of multilayer phosphorene is distinctively different in the presence and absence of charge screening. For instance, it is shown that the unscreened band gap of multilayer phosphorene decreases dramatically with increasing electric-field strength. However, in the presence of charge screening, the magnitude of this band-gap decrease is significantly reduced and the reduction depends strongly on the number of phosphorene layers. Our theoretical results of the band-gap tuning are compared with recent experiments and good agreement is found.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000430459400005 Publication Date 2018-04-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 26 Open Access  
  Notes ; This work was financially supported by the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:150752UA @ admin @ c:irua:150752 Serial 4988  
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Author Zhang, R.; Wu, Z.; Li, X.J.; Li, L.L.; Chen, Q.; Li, Y.-M.; Peeters, F.M. pdf  doi
openurl 
  Title Fano resonances in bilayer phosphorene nanoring Type A1 Journal article
  Year (down) 2018 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 29 Issue 21 Pages 215202  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Tunable transport properties and Fano resonances are predicted in a circular bilayer phosphorene nanoring. The conductance exhibits Fano resonances with varying incident energy and applied perpendicular magnetic field. These Fano resonance peaks can be accurately fitted with the well known Fano curves. When a magnetic field is applied to the nanoring, the conductance oscillates periodically with magnetic field which is reminiscent of the Aharonov-Bohm effect. Fano resonances are tightly related to the discrete states in the central nanoring, some of which are tunable by the magnetic field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000428920200001 Publication Date 2018-03-08  
  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 Grant No. 2017YFA0303400 from the National Key R&D Program of China, the Flemish Science Foundation, the grants No. 2016YFE0110000, No. 2015CB921503, and No. 2016YFA0202300 from the MOST of China, the NSFC (Grants Nos. 11504366, 11434010, 61674145 and 61774168) and CAS (Grants No. QYZDJ-SSW-SYS001). ; Approved Most recent IF: 3.44  
  Call Number UA @ lucian @ c:irua:150713UA @ admin @ c:irua:150713 Serial 4968  
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Author Chen, Q.; Li, L.L.; Peeters, F.M. url  doi
openurl 
  Title Magnetic field dependence of electronic properties of MoS2 quantum dots with different edges Type A1 Journal article
  Year (down) 2018 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 97 Issue 8 Pages 085437  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using the tight-binding approach, we investigate the energy spectrum of square, triangular, and hexagonal MoS2 quantum dots (QDs) in the presence of a perpendicular magnetic field. Novel edge states emerge in MoS2 QDs, which are distributed over the whole edge which we call ring states. The ring states are robust in the presence of spin-orbit coupling (SOC). The corresponding energy levels of the ring states oscillate as a function of the perpendicular magnetic field which are related to Aharonov-Bohm oscillations. Oscillations in the magnetic field dependence of the energy levels and the peaks in the magneto-optical spectrum emerge (disappear) as the ring states are formed (collapsed). The period and the amplitude of the oscillation decrease with the size of the MoS2 QDs.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000426042800009 Publication Date 2018-02-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 18 Open Access  
  Notes ; Q. Chen acknowledges financial support from the (China Scholarship Council (CSC)). This work was also supported by Hunan Provincial Natural Science Foundation of China (Grant No. 2015JJ2040) and by the Scientific Research Fund of Hunan Provincial Education Department (Grant No. 15A042). Additional support from the FLAG-ERA TRANS-2D-TMD is acknowledged. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:149905UA @ admin @ c:irua:149905 Serial 4941  
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Author Li, L.L.; Peeters, F.M. url  doi
openurl 
  Title Quantum transport in defective phosphorene nanoribbons : effects of atomic vacancies Type A1 Journal article
  Year (down) 2018 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 97 Issue 7 Pages 075414  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Defects are almost inevitably present in realistic materials and defective materials are expected to exhibit very different properties than their nondefective (perfect) counterparts. Here, using a combination of the tight-binding approach and the scattering matrix formalism, we investigate the electronic transport properties of defective phosphorene nanoribbons (PNRs) containing atomic vacancies. We find that for both armchair PNRs (APNRs) and zigzag PNRs (ZPNRs), single vacancies can create quasilocalized states, which can affect their conductance. With increasing vacancy concentration, three different transport regimes are identified: ballistic, diffusive, and Anderson localized ones. In particular, ZPNRs that are known to be metallic due to the presence of edge states become semiconducting: edge conductance vanishes and transport gap appears due to Anderson localization. Moreover, we find that for a fixed vacancy concentration, both APNRs and ZPNRs of narrower width and/or longer length are more sensitive to vacancy disorder than their wider and/or shorter counterparts, and that for the same ribbon length and width, ZPNRs are more sensitive to vacancy disorder than APNRs.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000424901800006 Publication Date 2018-02-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 30 Open Access  
  Notes ; This work was financially supported by the Flemish Science Foundation (FWO-Vl), the FLAG-ERA TRANS 2D TMD, and by the Chinese Academy of Sciences (CAS). ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:149255UA @ admin @ c:irua:149255 Serial 4946  
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Author Li, L.L.; Moldovan, D.; Xu, W.; Peeters, F.M. url  doi
openurl 
  Title Electronic properties of bilayer phosphorene quantum dots in the presence of perpendicular electric and magnetic fields Type A1 Journal article
  Year (down) 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 96 Issue 15 Pages 155425  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using the tight-binding approach, we investigate the electronic properties of bilayer phosphorene (BLP) quantum dots (QDs) in the presence of perpendicular electric and magnetic fields. Since BLP consists of two coupled phosphorene layers, it is of interest to examine the layer-dependent electronic properties of BLP QDs, such as the electronic distributions over the two layers and the so-produced layer-polarization features, and to see how these properties are affected by the magnetic field and the bias potential. We find that in the absence of a bias potential only edge states are layer polarized while the bulk states are not, and the layer-polarization degree (LPD) of the unbiased edge states increases with increasing magnetic field. However, in the presence of a bias potential both the edge and bulk states are layer polarized, and the LPD of the bulk (edge) states depends strongly (weakly) on the interplay of the bias potential and the interlayer coupling. At high magnetic fields, applying a bias potential renders the bulk electrons in a BLP QD to be mainly distributed over the top or bottom layer, resulting in layer-polarized bulk Landau levels (LLs). In the presence of a large bias potential that can drive a semiconductor-to-semimetal transition in BLP, these bulk LLs exhibit different magnetic-field dependences, i.e., the zeroth LLs exhibit a linearlike dependence on the magnetic field while the other LLs exhibit a square-root-like dependence.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000412699800005 Publication Date 2017-10-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 28 Open Access  
  Notes ; This work was financially supported by the Flemish Science Foundation (FWO-Vl), the National Natural Science Foundation of China (Grant No. 11574319), and the Chinese Academy of Sciences. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:146686 Serial 4782  
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Author Li, L.L.; Moldovan, D.; Vasilopoulos, P.; Peeters, F.M. url  doi
openurl 
  Title Aharonov-Bohm oscillations in phosphorene quantum rings Type A1 Journal article
  Year (down) 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 95 Issue 20 Pages 205426  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The Aharonov-Bohm (AB) effect in square phosphorene quantum rings, with armchair and zigzag edges, is investigated using the tight-binding method. The energy spectra and wave functions of such rings, obtained as a function of the magnetic flux Phi threading the ring, are strongly influenced by the ringwidthW, an in-plane electric field E-p, and a side-gating potential V-g. Compared to a square dot, the ring shows an enhanced confinement due to its inner edges and an interedge coupling along the zigzag direction, both of which strongly affect the energy spectrum and the wave functions. The energy spectrum that is gapped consists of a regular part, of conduction (valence) band states, that shows the usual AB oscillations in the higher-(lower-) energy region, and of edge states, in the gap, that exhibit no AB oscillations. As the width W decreases, the AB oscillations become more distinct and regular and their period is close to Phi(0)/2, where the flux quantum Phi(0) = h/e is the period of an ideal circular ring (W -> 0). Both the electric field E-p and the side-gating potential V-g reduce the amplitude of the AB oscillations. The amplitude can be effectively tuned by E-p or V-g and exhibits an anisotropic behavior for different field directions or side-gating configurations.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000402003700010 Publication Date 2017-05-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 16 Open Access  
  Notes ; This work was financially supported by the Chinese Academy of Sciences, the Flemish Science Foundation (FWO-V1), and by the Canadian NSERC Grant No. OGP0121756 (P.V.). ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:144267 Serial 4638  
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Author Han, F.W.; Xu, W.; Li, L.L.; Zhang, C.; Dong, H.M.; Peeters, F.M. url  doi
openurl 
  Title Electronic and transport properties of n-type monolayer black phosphorus at low temperatures Type A1 Journal article
  Year (down) 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 95 Issue 95 Pages 115436  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present a detailed theoretical study of the electronic and transport properties of monolayer black phosphorus (BP). This study is motivated by recent experimental activities in investigating n-type few-layer BP systems. The electron density of states, the screening length, and the low-temperature electron mobility are calculated for monolayer BP (MLBP). In particular, the electron transport mobilities along the armchair and zigzag directions are examined on the basis of the momentum-balance equation derived from a semiclassical Boltzmann equation. The anisotropic electron mobilities in MLBP along different directions are demonstrated where the electron-impurity scattering is considered. Furthermore, we compare the results obtained from two electronic band structures of MLBP and find that the simplified model can describe quite rightly the electronic and transport properties of MLBP. This study is relevant to the application of few-layer BP based electronic systems as advanced electronic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000399140700012 Publication Date 2017-03-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 12 Open Access  
  Notes National Natural Science Foundation of China, 11574319 11304316 11304317 11604380 ; Ministry of Science and Technology of the People's Republic of China, 2011YQ130018 ; Chinese Academy of Sciences; Approved Most recent IF: 3.836  
  Call Number CMT @ cmt @ c:irua:142431 Serial 4564  
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Author Li, L.L.; Zarenia, M.; Xu, W.; Dong, H.M.; Peeters, F.M. url  doi
openurl 
  Title Exciton states in a circular graphene quantum dot: Magnetic field induced intravalley to intervalley transition Type A1 Journal article
  Year (down) 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 95 Issue 95 Pages 045409  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The magnetic-field dependence of the energy spectrum, wave function, binding energy, and oscillator strength of exciton states confined in a circular graphene quantum dot (CGQD) is obtained within the configuration interaction method. We predict that (i) excitonic effects are very significant in the CGQD as a consequence of a combination of geometric confinement, magnetic confinement, and reduced screening; (ii) two types of excitons (intravalley and intervalley) are present in the CGQD because of the valley degree of freedom in graphene; (iii) the intravalley and intervalley exciton states display different magnetic-field dependencies due to the different electron-hole symmetries of the single-particle energy spectra; (iv) with increasing magnetic field, the exciton ground state in the CGQD undergoes an intravalley to intervalley transition accompanied by a change of angular momentum; (v) the exciton binding energy does not increase monotonically with the magnetic field due to the competition between geometric and magnetic confinements; and (vi) the optical transitions of the intervalley and intravalley excitons can be tuned by the magnetic field, and valley-dependent excitonic transitions can be realized in a CGQD.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000391856000006 Publication Date 2017-01-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 14 Open Access  
  Notes ; This work was financially supported by the China Scholarship Council (CSC), the Flemish Science Foundation (FWO-Vl), the National Natural Science Foundation of China (Grants No. 11304316, No. 11574319, and No. 11604380), and by the Chinese Academy of Sciences (CAS). ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:141444 Serial 4555  
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Author Li, L.L.; Moldovan, D.; Xu, W.; Peeters, F.M. pdf  doi
openurl 
  Title Electric-and magnetic-field dependence of the electronic and optical properties of phosphorene quantum dots Type A1 Journal article
  Year (down) 2017 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 28 Issue 8 Pages 085702  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Recently, black phosphorus quantum dots were fabricated experimentally. Motivated by these experiments, we theoretically investigate the electronic and optical properties of rectangular phosphorene quantum dots (RPQDs) in the presence of an in-plane electric field and a perpendicular magnetic field. The energy spectra and wave functions of RPQDs are obtained numerically using the tight-binding approach. We find edge states within the band gap of the RPQD which are well separated from the bulk states. In an undoped RPQD and for in-plane polarized light, due to the presence of well-defined edge states, we find three types of optical transitions which are between the bulk states, between the edge and bulk states, and between the edge states. The electric and magnetic fields influence the bulk-to-bulk, edge-to-bulk, and edge-to- edge transitions differently due to the different responses of bulk and edge states to these fields.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000403100700001 Publication Date 2017-01-03  
  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 32 Open Access  
  Notes ; This work was financially supported by the China Scholarship Council (CSC), the Flemish Science Foundation (FWO-Vl), the National Natural Science Foundation of China (Grant Nos. 11304316 and 11574319), and by the Chinese Academy of Sciences (CAS). ; Approved Most recent IF: 3.44  
  Call Number UA @ lucian @ c:irua:144325 Serial 4648  
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Author Zhao, C.X.; Xu, W.; Li, L.L.; Zhang, C.; Peeters, F.M. doi  openurl
  Title Terahertz plasmon-polariton modes in graphene driven by electric field inside a Fabry-Perot cavity Type A1 Journal article
  Year (down) 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 117 Issue 117 Pages 223104  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present a theoretical study on plasmon-polariton modes in graphene placed inside an optical cavity and driven by a source-to-drain electric field. The electron velocity and electron temperature are determined by solving self-consistently the momentum-and energy-balance equations in which electron interactions with impurities, acoustic-, and optic-phonons are included. Based on many-body self-consistent field theory, we develop a tractable approach to study plasmon-polariton in an electron gas system. We find that when graphene is placed inside a Fabry-Perot cavity, two branches of the plasmon-polariton modes can be observed and these modes are very much optic-or plasmon-like. The frequencies of these modes depend markedly on driving electric field especially at higher resonant frequency regime. Moreover, the plasmon-polariton frequency in graphene is in terahertz (THz) bandwidth and can be tuned by changing the cavity length, gate voltage, and driving electric field. This work is pertinent to the application of graphene-based structures as tunable THz plasmonic devices. (C) 2015 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000356176100004 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 13 Open Access  
  Notes ; This work was supported by the Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. F.M.P. was a specially appointed Professor for foreign expert at the Chinese Academy of Sciences. ; Approved Most recent IF: 2.068; 2015 IF: 2.183  
  Call Number c:irua:127076 Serial 3507  
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Author Li, L.L.; Xu, W.; Peeters, F.M. doi  openurl
  Title Optical conductivity of topological insulator thin films Type A1 Journal article
  Year (down) 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 117 Issue 117 Pages 175305  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present a detailed theoretical study on the optoelectronic properties of topological insulator thin film (TITFs). The k . p approach is employed to calculate the energy spectra and wave functions for both the bulk and surface states in the TITF. With these obtained results, the optical conductivities induced by different electronic transitions among the bulk and surface states are evaluated using the energy-balance equation derived from the Boltzmann equation. We find that for Bi2Se3-based TITFs, three characteristic regimes for the optical absorption can be observed. (i) In the low radiation frequency regime (photon energy (h) over bar omega < 200 meV), the free-carrier absorption takes place due to intraband electronic transitions. An optical absorption window can be observed. (ii) In the intermediate radiation frequency regime (200 < (h) over bar omega < 300 meV), the optical absorption is induced mainly by interband electronic transitions from surface states in the valance band to surface states in the conduction band and an universal value sigma(0) = e(2) / (8<(h)over bar>) for the optical conductivity can be obtained. (iii) In the high radiation frequency regime ((h) over bar omega > 300 meV), the optical absorption can be achieved via interband electronic transitions from bulk and surface states in the valance band to bulk and surface states in the conduction band. A strong absorption peak can be observed. These interesting findings indicate that optical measurements can be applied to identify the energy regimes of bulk and surface states in the TITF. (C) 2015 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000354984100615 Publication Date 2015-05-06  
  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 9 Open Access  
  Notes ; This work was supported by the National Natural Science Foundation of China (Grant No. 11304316), Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; Approved Most recent IF: 2.068; 2015 IF: 2.183  
  Call Number c:irua:126412 Serial 2473  
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Author Li, L.L.; Xu, W.; Peeters, F.M. url  doi
openurl 
  Title Intrinsic optical anisotropy of [001]-grown short-period InAs/GaSb superlattices Type A1 Journal article
  Year (down) 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue 23 Pages 235422-235422,10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We theoretically investigate the intrinsic optical anisotropy or polarization induced by the microscopic interface asymmetry (MIA) in no-common-atom (NCA) InAs/GaSb superlattices (SLs) grown along the [001] direction. The eight-band K⋅P model is used to calculate the electronic band structures and incorporates the MIA effect. A Boltzmann equation approach is employed to calculate the optical properties. We found that in NCA InAs/GaSb SLs, the MIA effect causes a large in-plane optical anisotropy for linearly polarized light and the largest anisotropy occurs for light polarized along the [110] and [11̅ 0] directions. The relative difference between the optical-absorption coefficient for [110]-polarized light and that for [11̅ 0]-polarized light is found to be larger than 50%. The dependence of the in-plane optical anisotropy on temperature, photoexcited carrier density, and layer width is examined in detail. This study is important for optical devices which require the polarization control and selectivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000286768800007 Publication Date 2010-12-13  
  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 partly by the Flemish Science Foundation (FWO-VL), the Belgium Science Policy (IAP), the NSF of China (Grants No. 10664006, No. 10504036, and No. 90503005), Special Funds of 973 Project of China (Grant No. 2005CB623603), and Knowledge Innovation Program of the Chinese Academy of Sciences. ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:88909 Serial 1717  
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Author Xu, W.; Dong, H.M.; Li, L.L.; Yao, J.Q.; Vasilopoulos, P.; Peeters, F.M. url  doi
openurl 
  Title Optoelectronic properties of graphene in the presence of optical phonon scattering Type A1 Journal article
  Year (down) 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue 12 Pages 125304-125304,9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study in detail the optoelectronic properties of graphene. Considering the electron interactions with photons and phonons, we employ the mass- and energy-balance equations to self-consistently evaluate the photoinduced carrier densities, the optical conductance, and the transmission coefficient in the presence of a linearly polarized radiation field. We demonstrate that the photoinduced carrier densities increase around the electron-photon-phonon resonant transition. They depend strongly on the radiation intensity and frequency, temperature, and dark carrier density. For short-wavelength radiation (L<3 μm), we obtain the universal optical conductance σ0=e2/(4ℏ). Importantly, there exists an optical-absorption window in the radiation wavelength range 4100 μm, which is induced by different transition energies required for interband and intraband optical absorption. The position and width of this window depend sensitively on the temperature and the carrier density of the system. These theoretical results are in line with recent experimental findings and indicate that graphene exhibits important features not only in the visible regime but also in the midinfrared bandwidth.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000281516500009 Publication Date 2010-09-03  
  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 28 Open Access  
  Notes ; This work was supported by the Chinese Academy of Sciences, National Natural Science Foundation of China, and Department of Science and Technology of Yunnan Province. ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:84260 Serial 2496  
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