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“Excitation and propagation of spin waves in non-uniformly magnetized waveguides”. Vanderveken F, Ahmad H, Heyns M, Sorée B, Adelmann C, Ciubotaru F, Journal Of Physics D-Applied Physics 53, 495006 (2020). http://doi.org/10.1088/1361-6463/ABB2BE
Abstract: The characteristics of spin waves in ferromagnetic waveguides with non-uniform magnetization have been investigated for situations where the shape anisotropy field of the waveguide is comparable to the external bias field. Spin-wave generation was realized by the magnetoelastic effect by applying normal and shear strain components, as well as by the Oersted field emitted by an inductive antenna. The magnetoelastic excitation field has a non-uniform profile over the width of the waveguide because of the non-uniform magnetization orientation, whereas the Oersted field remains uniform. Using micromagnetic simulations, we indicate that both types of excitation fields generate quantised width modes with both odd and even mode numbers as well as tilted phase fronts. We demonstrate that these effects originate from the average magnetization orientation with respect to the main axes of the magnetic waveguide. Furthermore, it is indicated that the excitation efficiency of the second-order mode generally surpasses that of the first-order mode due to their symmetry. The relative intensity of the excited modes can be controlled by the strain state as well as by tuning the dimensions of the excitation area. Finally, we demonstrate that the nonreciprocity of spin-wave radiation due to the chirality of an Oersted field generated by an inductive antenna is absent for magnetoelastic spin-wave excitation.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.4
Times cited: 1
DOI: 10.1088/1361-6463/ABB2BE
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“Van der Waals heterostructures of MoS₂, and Janus MoSSe monolayers on graphitic boron-carbon-nitride (BC₃, C₃N, C₃N₄, and C₄N₃) nanosheets: a first-principles study”. Bafekry A, Yagmurcukardes M, Akgenc B, Ghergherehchi M, Nguyen C, Journal Of Physics D-Applied Physics , 1 (2020). http://doi.org/10.1088/1361-6463/AB876C
Abstract: In this work, we extensively investigate the structural and electronic properties of van der Waals heterostructures (HTs) constructed by MoS${2}$/$BC3$, MoS${2}$/$C3N$, MoS${2}$/$C3N4$, MoS${2}$/$C4N3$ and those using Janus MoSSe instead of MoS$2$ by performing density functional theory calculations. The electronic band structure calculations and the corresponding partial density of states reveal that the significant changes are driven by quite strong layer-layer interaction between the constitutive layers. Our results show that although all monolayers are semiconductors as free-standing layers, the MoS${2}$/$C3N$ and MoS${2}$/$C4N3$ bilayer HTs display metallic behavior as a consequence of transfer of charge carriers between two constituent layers. In addition, it is found that in MoSSe/$C3N$ bilayer HT, the degree of metallicity is affected by the interface chalcogen atom type when Se atoms are facing to $C3N$ layer, the overlap of the bands around the Fermi level is smaller. Moreover, the half-metallic magnetic $C4N3$ is shown to form magnetic half-metallic trilayer HT with MoS$2$ independent of the stacking sequence, i.e. whether it is sandwiched or two $C4N3$ layer encapsulate MoS$2$ layer. We further analyze the trilayer HTs in which MoS$2$ is encapsulated by two different monolayers and it is revealed that at least with one magnetic monolayer, it is possible to construct a magnetic trilayer. While the trilayer of $C4N3$/MoS${2}$/$BC3$ and $C4N3$/MoS${2}$/$C3N4$ exhibit half-metallic characteristics, $C4N3$/MoS${_2}$/$C3$N possesses a magnetic metallic ground state. Overall, our results reveal that holly structures of BCN crystals are suitable for heterostructure formation even over van der Waals type interaction which significantly changes electronic nature of the constituent layers.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.4
DOI: 10.1088/1361-6463/AB876C
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“MoSi₂N₄, single-layer : a novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties”. Bafekry A, Faraji M, Hoat DM, Shahrokhi M, Fadlallah MM, Shojaei F, Feghhi SAH, Ghergherehchi M, Gogova D, Journal Of Physics D-Applied Physics 54, 155303 (2021). http://doi.org/10.1088/1361-6463/ABDB6B
Abstract: Very recently, the 2D form of MoSi2N4 has been successfully fabricated (Hong et al 2020 Science 369 670). Motivated by these recent experimental results, we investigate the structural, mechanical, thermal, electronic and optical properties of the MoSi2N4 monolayer. The mechanical study confirms the stability of the MoSi2N4 monolayer. The Young's modulus decreases by similar to 30%, while the Poisson's ratio increases by similar to 30% compared to the corresponding values of graphene. In addition, the MoSi2N4 monolayer's work function is very similar to that of phosphorene and MoS2 monolayers. The electronic structure shows that the MoSi2N4 monolayer is an indirect semiconductor with a band gaps of 1.79 (2.35) eV using the GGA (HSE06) functional. The thermoelectric performance of the MoSi2N4 monolayer has been revealed and a figure of merit slightly larger than unity at high temperatures is calculated. The optical analysis shows that the first absorption peak for in-plane polarization is located in the visible range of the spectrum, therefore, the MoSi2N4 monolayer is a promising candidate for advanced optoelectronic nanodevices. In summary, the fascinating MoSi2N4 monoloayer is a promising 2D material for many applications due to its unique physical properties.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.588
DOI: 10.1088/1361-6463/ABDB6B
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“Prediction of two-dimensional bismuth-based chalcogenides Bi₂X₃(X = S, Se, Te) monolayers with orthorhombic structure : a first-principles study”. Bafekry A, Faraji M, Fadlallah MM, Jappor HR, Hieu NN, Ghergherehchi M, Feghhi SAH, Gogova D, Journal Of Physics D-Applied Physics 54, 395103 (2021). http://doi.org/10.1088/1361-6463/AC118C
Abstract: First-principles calculation is a very powerful tool for discovery and design of novel two-dimensional materials with unique properties needed for the next generation technology. Motivated by the successful preparation of Bi2S3 nanosheets with orthorhombic structure in the last year, herein we gain a deep theoretical insight into the crystal structure, stability, electronic and optical properties of Bi2X3 (X = S, Se, Te) monolayers of orthorhombic phase employing the first-principles calculations. The Molecular dynamics study, phonon spectra, criteria for elastic stability, and cohesive energy results confirm the desired stability of the Bi2X3 monolayers. From S, to Se and Te, the work function value as well as stability of the systems decrease due to the decline in electronegativity. Mechanical properties study reveals that Bi2X3 monolayers have brittle nature. The electronic bandgap values of Bi2S3, Bi2Se3 and Bi2Te3 monolayers are predicted by the HSE06 functional to be 2.05, 1.20 and 1.16 eV, respectively. By assessing the optical properties, it has been found that Bi2X3 monolayers can absorb ultraviolet light. The high in-plane optical anisotropy offers an additional degree of freedom in the design of optical devices. The properties revealed in our survey will stimulate and inspire the search for new approaches of orthorhombic Bi2X3 (X = S, Se, Te) monolayers synthesis and properties manipulation for fabrication of novel nanoelectronic and optoelectronic devices.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.588
DOI: 10.1088/1361-6463/AC118C
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“Influence of the lattice symmetry on melting of the bilayer Wigner crystal”. Schweigert IV, Schweigert VA, Peeters FM, Journal de physique: 4
T2 –, International Conference on Strongly Coupled Coulomb Systems, SEP 04-10, 1999, ST MALO, FRANCE 10, 117 (2000). http://doi.org/10.1051/jp4:2000515
Abstract: The melting transition of the five different lattices of a bilayer crystal is studied using the Monte-Carlo (MC) technique. We found the surprising result that the square lattice has a substantial larger melting temperature as compared to the other lattice structures, which is a consequence of the specific topology of the temperature induced defects. A new melting criterion is formulated which we show to be universal for bilayers as well as for single layer crystals.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1051/jp4:2000515
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“Angle-resolved synchrotron photoemission and density functional theory on the iridium modified Si(111) surface”. Oncel N, Çakir D, Dil JH, Slomski B, Landolt G, Journal of physics : condensed matter 26, 285501 (2014). http://doi.org/10.1088/0953-8984/26/28/285501
Abstract: The physical and electronic properties of the Ir modified Si(1 1 1) surface have been investigated with the help of angle resolved photoemission spectroscopy and density functional theory. The surface consists of Ir-ring clusters that form a root 7 x root 7 -R19.1 degrees reconstruction. A comparison between the measured and calculated band structure of the system reveals that the dispersions of the projected bulk states and the states originating from '1x1' domains are heavily modified due to Umklapp scattering from the surface Brillouin zone. Density of states calculations show that Ir-ring clusters contribute to the states in the vicinity of the Fermi level.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 4
DOI: 10.1088/0953-8984/26/28/285501
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“Buckled circular monolayer graphene : a graphene nano-bowl”. Neek-Amal M, Peeters FM, Journal of physics : condensed matter 23, 045002 (2011). http://doi.org/10.1088/0953-8984/23/4/045002
Abstract: We investigate the stability of circular monolayer graphene subjected to a radial load using non-equilibrium molecular dynamics simulations. When monolayer graphene is radially stressed, after some small circular strain (~0.4%) it buckles and bends into a new bowl-like shape. Young's modulus is calculated from the linear relation between stress and strain before the buckling threshold, which is in agreement with experimental results. The prediction of elasticity theory for the buckling threshold of a radially stressed plate is presented and its results are compared to the one of our atomistic simulation. The Jarzynski equality is used to estimate the difference between the free energy of the non-compressed states and the buckled states. From a calculation of the free energy we obtain the optimum radius for which the system feels the minimum boundary stress.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 27
DOI: 10.1088/0953-8984/23/4/045002
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“Classical artificial two-dimensional atoms: the Thomson model”. Partoens B, Peeters FM, Journal of physics : condensed matter 9, 5383 (1997)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 52
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“Collective cyclotron modes in high mobility two-dimensional hole systems in GaAs-(Ga,Al)As heterojunctions: 1: experiments at low magnetic fields and theory”. Cole BE, Peeters FM, Ardavan A, Hill SO, Singleton J, Batty W, Chamberlain JM, Polisskii A, Henini M, Cheng T, Journal of physics : condensed matter 9, 3163 (1997)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 20
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“Collective cyclotron modes in high mobility two-dimensional hole systems in GaAs-(Ga,Al)As heterojunctions: 2: experiments at magnetic fields of up to forty Tesla”. Cole BE, Batty W, Singleton J, Chamberlain JM, Li L, van Bockstal L, Imanaka Y, Shimamoto Y, Miura N, Peeters FM, Henini M, Cheng T, Journal of physics : condensed matter 9, 4887 (1997)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 5
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“Conductance maps of quantum rings due to a local potential perturbation”. Petrovic MD, Peeters FM, Chaves A, Farias GA, Journal of physics : condensed matter 25, 495301 (2013). http://doi.org/10.1088/0953-8984/25/49/495301
Abstract: We performed a numerical simulation of the dynamics of a Gaussian shaped wavepacket inside a small sized quantum ring, smoothly connected to two leads and exposed to a perturbing potential of a biased atomic force microscope tip. Using the Landauer formalism, we calculated conductance maps of this system in the case of single and two subband transport. We explain the main features in the conductance maps as due to the AFM tip influence on the wavepacket phase and amplitude. In the presence of an external magnetic field, the tip modifies the phi(0) periodic Aharonov-Bohm oscillation pattern into a phi(0)/2 periodic Al'tshuler-Aronov-Spivak oscillation pattern. Our results in the case of multiband transport suggest tip selectivity to higher subbands, making them more observable in the total
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 12
DOI: 10.1088/0953-8984/25/49/495301
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“Density of states and Fermi level of a periodically modulated two-dimensional electron gas”. Peeters FM, Vasilopoulos P, Shi J, Journal of physics : condensed matter 14, 8803 (2002). http://doi.org/10.1088/0953-8984/14/38/305
Abstract: Explicit analytic expressions are obtained for the density of states D(E) and Fermi energy E-F of a two-dimensional electron gas in the presence of a weak and periodic unidirectional electric or magnetic modulation and of a uniform perpendicular magnetic field B. The Landau levels broaden into bands and their width, proportional to the modulation strength, oscillates with B and gives rise to Weiss oscillations in D(E), E-F and the transport coefficients. When both electric and magnetic modulations are present the position of the resulting oscillations depends on the ratio delta between the two modulation strengths. When the modulations are out of phase there is no shift in the position of the oscillations when delta varies and for a particular value of delta the oscillations are suppressed.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 8
DOI: 10.1088/0953-8984/14/38/305
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“Diagonalization of the generalized Feynman bipolaron model in a magnetic field”. da Costa WB, Peeters FM, Journal of physics : condensed matter 7, 1293 (1995). http://doi.org/10.1088/0953-8984/7/7/011
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.346
Times cited: 18
DOI: 10.1088/0953-8984/7/7/011
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“Edge excitations of a 2D electron solid in a magnetic field”. Monarkha YP, Peeters FM, Sokolov SS, Journal of physics : condensed matter 9, 1537 (1997)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 1
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“Electric-field manipulation of spin states in confined non-magnetic/magnetic heterostructures”. Borza S, Peeters FM, Vasilopoulos P, Papp G, Journal of physics : condensed matter 19, 176221 (2007). http://doi.org/10.1088/0953-8984/19/17/176221
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 4
DOI: 10.1088/0953-8984/19/17/176221
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“Electronic and optical properties of core-shell nanowires in a magnetic field”. Ravi Kishore VV, Partoens B, Peeters FM, Journal of physics : condensed matter 26, 095501 (2014). http://doi.org/10.1088/0953-8984/26/9/095501
Abstract: The electronic and optical properties of zincblende nanowires are investigated in the presence of a uniform magnetic field directed along the [001] growth direction within the k . p method. We focus our numerical study on core-shell nanowires consisting of the III-V materials GaAs, AlxGa1-xAs and AlyGa1-y/0.51In0.49P. Nanowires with electrons confined in the core exhibit a Fock-Darwin-like spectrum, whereas nanowires with electrons confined in the shell show Aharonov-Bohm oscillations. Thus, by properly choosing the core and the shell materials of the nanowire, the optical properties in a magnetic field can be tuned in very different ways.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 10
DOI: 10.1088/0953-8984/26/9/095501
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“The electronic properties of graphene and graphene ribbons under simple shear strain”. Sena SHR, Pereira JM, Farias GA, Peeters FM, Costa Filho RN, Journal of physics : condensed matter 24, 375301 (2012). http://doi.org/10.1088/0953-8984/24/37/375301
Abstract: A tight-binding model is used to study the energy band of graphene and graphene ribbon under simple shear strain. The ribbon consists of lines of carbon atoms in an armchair or zigzag orientation where a simple shear strain is applied in the x-direction keeping the atomic distances in the y-direction unchanged. Such modification in the lattice gives an energy band that differs in several aspects from the one without any shear and with pure shear. The changes in the spectrum depend on the line displacement of the ribbon, and also on the modified hopping parameter. It is also shown that this simple shear strain tunes the electronic properties of both graphene and graphene ribbon, opening and closing energy gaps for different displacements of the system. The modified density of states is also shown.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 15
DOI: 10.1088/0953-8984/24/37/375301
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“Electronic structure of transparent oxides with the Tran-Blaha modified Becke-Johnson potential”. Dixit H, Saniz R, Cottenier S, Lamoen D, Partoens B, Journal of physics : condensed matter 24, 205503 (2012). http://doi.org/10.1088/0953-8984/24/20/205503
Abstract: We present electronic band structures of transparent oxides calculated using the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. We studied the basic n-type conducting binary oxides In2O3, ZnO, CdO and SnO2 along with the p-type conducting ternary oxides delafossite CuXO2 (X = Al, Ga, In) and spinel ZnX2O4 (X = Co, Rh, Ir). The results are presented for calculated band gaps and effective electron masses. We discuss the improvements in the band gap determination using TB-mBJ compared to the standard generalized gradient approximation (GGA) in density functional theory (DFT) and also compare the electronic band structure with available results from the quasiparticle GW method. It is shown that the calculated band gaps compare well with the experimental and GW results, although the electron effective mass is generally overestimated.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 113
DOI: 10.1088/0953-8984/24/20/205503
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“Exciton states and oscillator strength in two vertically coupled InP/InGaP quantum discs”. Tadić, M, Peeters FM, Journal of physics : condensed matter 16, 8633 (2004). http://doi.org/10.1088/0953-8984/16/47/015
Abstract: Quantum mechanical coupling and strain in two vertically arranged InP/InGaP quantum dots is studied as a function of the size of the dots and the spacer thickness. The strain distribution is determined by the continuum mechanical model, while the single-band effective-mass equation and the multiband k (.) p theory are employed to compute the conduction and valence band energy levels, respectively. The exciton states are obtained from an exact diagonalization approach, and we also compute the oscillator strength for recombination. We found that the light holes are confined by strain to the spacer, which is the reason that the hole states exhibit coupling at much larger distances as compared with the electrons. At small d, the doublet structure of the hole energy levels arises as a consequence of the relocation of the light hole from the matrix to the regions located-outside the stack, close to the dot-matrix interface. When d varies, the exciton ground state exhibits numerous anticrossings with other states, which are related to the changing spatial localization of the hole as a function of d. The oscillator strength of the exciton recombination is strongly reduced in a certain range of spacer thicknesses, which effectively turns a bright exciton state into a dark one. This effect is associated with anticrossings between exciton energy levels.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 13
DOI: 10.1088/0953-8984/16/47/015
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“Exciton states in cylindrical nanowires”. Slachmuylders AF, Partoens B, Magnus W, Peeters FM, Journal of physics : condensed matter 18, 3951 (2006). http://doi.org/10.1088/0953-8984/18/16/005
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 27
DOI: 10.1088/0953-8984/18/16/005
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“Exciton trapping in magnetic wire structures”. Freire JAK, Peeters FM, Freire VN, Farias GA, Journal of physics : condensed matter 13, 3283 (2001). http://doi.org/10.1088/0953-8984/13/14/305
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 3
DOI: 10.1088/0953-8984/13/14/305
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“Giant magnetoresistance in a two-dimensional electron gas modulated by magnetic barriers”. Papp G, Peeters FM, Journal of physics : condensed matter 16, 8275 (2004). http://doi.org/10.1088/0953-8984/16/46/014
Abstract: The temperature-dependent giant magnetoresistance effect is investigated in a magnetically modulated two-dimensional electron gas, which can be realized by depositing two parallel ferromagnets on the top and bottom of a heterostructure. The effective potential for electrons arising for parallel magnetization allows the electrons to resonantly tunnel through the magnetic barriers, while this is excluded in the anti-parallel situation. Such a discrepancy results in a giant magnetoresistance ratio (MRR), which can be up to 10(31)%. The MRR shows a strong dependence on temperature, but our study indicates that for realistic parameters for a GaAs heterostructure the effect can be as high as 10(4)% at 4 K.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 69
DOI: 10.1088/0953-8984/16/46/014
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“Graphene in inhomogeneous magnetic fields : bound, quasi-bound and scattering states”. Masir MR, Vasilopoulos P, Peeters FM, Journal of physics : condensed matter 23, 315301 (2011). http://doi.org/10.1088/0953-8984/23/31/315301
Abstract: The electron states in graphene-based magnetic dot and magnetic ring structures and combinations of both are investigated. The corresponding spectra are studied as a function of the radii, the strengths of the inhomogeneous magnetic field and of a uniform background field, the strength of an electrostatic barrier and the angular momentum quantum number. In the absence of an external magnetic field we have only long-lived quasi-bound and scattering states and we assess their influence on the density of states. In addition, we consider elastic electron scattering by a magnetic dot, whose average B vanishes, and show that the Hall and longitudinal resistivities, as a function of the Fermi energy, exhibit a pronounced oscillatory structure due to the presence of quasi-bound states. Depending on the dot parameters this oscillatory structure differs substantially for energies below and above the first Landau level.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 38
DOI: 10.1088/0953-8984/23/31/315301
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“Hydrogen adsorption on nitrogen and boron doped graphene”. Pizzochero M, Leenaerts O, Partoens B, Martinazzo R, Peeters FM, Journal of physics : condensed matter 27, 425502 (2015). http://doi.org/10.1088/0953-8984/27/42/425502
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.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 20
DOI: 10.1088/0953-8984/27/42/425502
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“Ground state configurations and melting of two-dimensional non-uniformly charged classical clusters”. Tomecka DM, Kamieniarz G, Partoens B, Peeters FM, Journal of physics : condensed matter 21, 155301 (2009). http://doi.org/10.1088/0953-8984/21/15/155301
Abstract: We consider classical two-dimensional (2D) Coulomb clusters consisting of two species containing five particles with charge q1 and five with charge q2, respectively. Using Monte Carlo and molecular dynamics (MD) simulations, we investigated the ground state configurations as well as radial and angular displacements of particles as a function of temperature and their dependence on the ratio q = q2/q1. We found new configurations and a new multi-step melting behavior for q sufficiently different from the uniform charge limit q = 1.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 2
DOI: 10.1088/0953-8984/21/15/155301
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“The Hall effect of an inhomogeneous magnetic field in mesoscopic structures”. Li XQ, Peeters FM, Geim AK, Journal of physics : condensed matter 9, 8065 (1997)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 8
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“High energy transitions of shallow magneto-donors in a GaAs/Al0.3Ga0.7As multiple quantum well”. Bruno-Alfonso A, Hai G-Q, Peeters FM, Yeo T, Ryu SR, McCombe BD, Journal of physics : condensed matter 13, 9761 (2001). http://doi.org/10.1088/0953-8984/13/43/307
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 7
DOI: 10.1088/0953-8984/13/43/307
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“Hole subbands in freestanding nanowires : six-band versus eight-band k.p modelling”. Kishore VVR, Čukarić, N, Partoens B, Tadić, M, Peeters FM, Journal of physics : condensed matter 24, 135302 (2012). http://doi.org/10.1088/0953-8984/24/13/135302
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.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 13
DOI: 10.1088/0953-8984/24/13/135302
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“Hydrogenated cation vacancies in semiconducting oxides”. Varley JB, Peelaers H, Janotti A, van de Walle CG, Journal of physics : condensed matter 23, 334212 (2011). http://doi.org/10.1088/0953-8984/23/33/334212
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.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 125
DOI: 10.1088/0953-8984/23/33/334212
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“Kronig-Penney model of scalar and vector potentials in graphene”. Masir MR, Vasilopoulos P, Peeters FM, Journal of physics : condensed matter 22, 465302 (2010). http://doi.org/10.1088/0953-8984/22/46/465302
Abstract: We consider a one-dimensional (1D) superlattice (SL) on graphene consisting of very high and very thin (δ-function) magnetic and potential barriers with zero average potential and zero magnetic field. We calculate the energy spectrum analytically, study it in different limiting cases, and determine the condition under which an electron beam incident on an SL is highly collimated along its direction. In the absence of the magnetic SL the collimation is very sensitive to the value of W/Ws and is optimal for W/Ws = 1, where W is the distance between the positive and negative barriers and L = W + Ws is the size of the unit cell. In the presence of only the magnetic SL the collimation decreases and the symmetry of the spectrum around ky is broken for W/Ws\neq 1 . In addition, a gap opens which depends on the strength of the magnetic field. We also investigate the effect of spatially separated potential and magnetic δ-function barriers and predict a better collimation in specific cases.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 41
DOI: 10.1088/0953-8984/22/46/465302
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