“The low-temperature self-consistent g factor for heterostructures in strong magnetic fields”. Xu W, Vasilopoulos P, Das MP, Peeters FM, Journal of physics : condensed matter 7, 4419 (1995)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.346
Times cited: 20
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“Magnetodielectric CuCr0.5V0.5O2 : an example of a magnetic and dielectric multiglass”. Singh K, Maignan A, Simon C, Kumar S, Martin C, Lebedev O, Turner S, Van Tendeloo G, Journal of physics : condensed matter 24, 226002 (2012). http://doi.org/10.1088/0953-8984/24/22/226002
Abstract: The complex dielectric susceptibility and spin glass properties of polycrystalline CuCr0.5V 0.5O2 delafossite have been investigated. Electron diffraction, high resolution electron microscopy and electron energy loss spectroscopy show that the Cr3+ and V 3+ magnetic cations are randomly distributed on the triangular network of CdI2-type layers. In contrast to CuCrO2, CuCr0.5V 0.5O2 exhibits two distinctive (magnetic and electric) glassy states evidenced by memory effects in electric and magnetic susceptibilities. A large magnetodielectric coupling is observed at low temperature.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.649
Times cited: 19
DOI: 10.1088/0953-8984/24/22/226002
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“Manipulation of two-electron states by the electric field in stacked self-assembled dots”. Nowak MP, Szafran B, Peeters FM, Journal of physics : condensed matter 20, 395225 (2008). http://doi.org/10.1088/0953-8984/20/39/395225
Abstract: A pair of electrons in vertically stacked self-assembled quantum dots is studied and the singlettriplet energy splitting is calculated in an external electric field using the configuration-interaction method. We show that for double quantum dots the dependence of the singlet energy levels on the electric field involves multiple avoided crossings of three energy levels. The exchange interaction, i.e., the energy difference of the lowest triplet and lowest singlet states, can be tuned by an electric field in a wide range of several tens of meV. For electric fields exceeding a threshold value the exchange interaction becomes a linear function of the field when the two electrons in the singlet state start to occupy the same dot. We also consider non-symmetric confinement, non-perfectly aligned dots, in horizontal as well as vertical field orientation. In a stack of three vertically coupled dots the depth of the confinement in the central dot can be used to enhance the exchange interaction. For a deeper central dot the dependence of the exchange interaction on the electric field is anomalousit initially decreases when the field is applied in both directions parallel and antiparallel to the axis of the stack. Such a behavior is never observed for a pair of quantum dots.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 5
DOI: 10.1088/0953-8984/20/39/395225
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“Melting of a two-dimensional binary cluster of charged particles confined in a parabolic trap”. Ferreira WP, Munarin FF, Farias GA, Peeters FM;, Journal of physics : condensed matter 18, 9385 (2006). http://doi.org/10.1088/0953-8984/18/41/006
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 12
DOI: 10.1088/0953-8984/18/41/006
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“Microstructure and spectroscopy studies on cubic boron nitride synthesized under high-pressure conditions”. Nistor LC, Nistor SV, Dinca G, Georgeoni P, van Landuyt J, Manfredotti C, Vittone E, Journal of physics : condensed matter 14, 10983 (2002). http://doi.org/10.1088/0953-8984/14/44/414
Abstract: High-resolution electron microscopy (HREM) studies of the microstructure and specific defects in hexagonal boron nitride (h-BN) precursors and cubic boron nitride (c-BN) crystals made under high-pressure high-temperature conditions revealed the presence of half-nanotubes at the edges of the h-BN particles. Their sp(3) bonding tendency could strongly influence the nucleation rates of c-BN. The atomic resolution at extended dislocations was insufficient to allow us to determine the stacking fault energy in the c-BN crystals. Its mean value of 191 +/- 15 mJ m(-2) is of the same order of magnitude as that of diamond. High-frequency (94 GHz) electron paramagnetic resonance studies on c-BN single crystals have produced new data on the D1 centres associated with the boron species. Ion-beam-induced luminescence measurements have indicated that c-BN is a very interesting luminescent material, which is characterized by four luminescence bands and exhibits a better resistance to ionizing radiation than CVD diamond.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.649
Times cited: 7
DOI: 10.1088/0953-8984/14/44/414
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“Neutron and X-ray scattering cross sections of orientationally disordered solid C60”. Copley JRD, Michel KH, Journal Of Physics-Condensed Matter 5, 4353 (1993)
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Impact Factor: 2.346
Times cited: 34
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“Neutron and X-ray-scattering cross sections of orientationally disordered solid C60”. Copley JRD, Michel KH, Journal of physics : condensed matter 5, 4353 (1993). http://doi.org/10.1088/0953-8984/5/26/008
Abstract: Differential cross sections for neutron and x-ray scattering have been derived for the orientationally disordered phase of solid C60. Interaction centres are placed at nuclei and at the centres of interatomic bonds. Bragg and diffuse scattering cross sections, for single crystals and for powders, are formulated using symmetry-adapted rotator functions. Thermal averages are calculated taking account of crystal field effects. Thermally averaged orientational distribution functions have also been calculated.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.346
Times cited: 34
DOI: 10.1088/0953-8984/5/26/008
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“Non monotonic behavior of the energy levels of quantum wells with a large mass mismatch in the presence of an in-plane magnetic field”. de Meester RHJ, Peeters FM, Journal of physics : condensed matter 11, 6207 (1999)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 3
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“Normal and hot electro-phonon resonance effect in a quasi-two-dimensional semiconductor system”. Xu W, Peeters FM, Devreese JT, Journal of physics : condensed matter 5, 2307 (1993). http://doi.org/10.1088/0953-8984/5/15/004
Abstract: The electro-phonon resonance effect is a consequence of a resonant interaction between two electric subbands mediated by an optical phonon. It occurs in a quasi-two-dimensional electron system each time the energy difference between two electric subbands equals the energy of a Lo phonon. We study the influence of this effect on the electron mobility by using the momentum balance equation. The temperature and electron density dependences of the resonances are studied in the linear and non-linear response regimes.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 2.346
Times cited: 18
DOI: 10.1088/0953-8984/5/15/004
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“Optical spectroscopy of oxygen precipitates in heavily doped p-type silicon”. Simoen E, Loo R, Claeys C, de Gryse O, Clauws P, van Landuyt J, Lebedev O, Journal of physics : condensed matter
T2 –, Conference on Extended Defects in Semiconductors (EDS 2002), JUN 01-06, 2002, BOLOGNA, ITALY 14, 13185 (2002). http://doi.org/10.1088/0953-8984/14/48/367
Abstract: Results are presented on the photoluminescence (PL) characterization of heavily doped p(+) Czochralski silicon, which has been subjected to a two-step, oxygen precipitation heat treatment. It will be shown that the presence of oxygen precipitates gives rise to the D1, D2 and D5 lines, where the energy of the D1 line shifts to lower values for a stronger degree of precipitation. The occurrence of these PL features is also a function of the boron concentration in the p(+) material. The PL results are compared with Fourier transform infrared absorption data and with transmission electron microscope, results. From this, it is concluded that PL has a good potential for use in the assessment of oxygen precipitation in heavily doped silicon.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.649
Times cited: 3
DOI: 10.1088/0953-8984/14/48/367
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“Oscillating spin-orbit interaction as a source of spin-polarized wavepackets in two-terminal nanoscale devices”. Szaszko-Bogar V, Foeldi P, Peeters FM, Journal of physics : condensed matter 26, 135302 (2014). http://doi.org/10.1088/953-8984/26/13/135302
Abstract: Ballistic transport through nanoscale devices with time-dependent Rashba-type spin- orbit interaction (SOI) can lead to spin-polarized wavepackets that appear even for completely unpolarized input. The SOI that oscillates in a finite domain generates density and spin polarization fluctuations that leave the region as propagating waves. In particular, spin polarization has space and time dependence even in regions without SOI. Our results are based on an analytical solution of the time-dependent Schrodinger equation. The relevant Floquet quasi-energies that are obtained appear in the energy spectrum of both the transmitted and the reflected waves.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
DOI: 10.1088/953-8984/26/13/135302
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“The polaron-bipolaron transition for acoustical three-dimensional polarons”. da Costa WB, Peeters FM, Journal of physics : condensed matter 8, 2173 (1996). http://doi.org/10.1088/0953-8984/8/13/009
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.346
Times cited: 10
DOI: 10.1088/0953-8984/8/13/009
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“Renormalized perturbation series for quantum dots”. Matulis A, Peeters FM, Journal of physics : condensed matter 6, 7751 (1994). http://doi.org/10.1088/0953-8984/6/38/013
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.346
Times cited: 77
DOI: 10.1088/0953-8984/6/38/013
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“Snake orbits and related magnetic edge states”. Reijniers J, Peeters FM, Journal of physics : condensed matter 12, 9771 (2000). http://doi.org/10.1088/0953-8984/12/47/305
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)
Impact Factor: 2.649
Times cited: 66
DOI: 10.1088/0953-8984/12/47/305
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“Structure and spectrum of the anisotropically confined two-dimensional Yukawa system”. Cândido L, Rino J-P, Studart N, Peeters FM, Journal of physics : condensed matter 10, 11627 (1998). http://doi.org/10.1088/0953-8984/10/50/004
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 69
DOI: 10.1088/0953-8984/10/50/004
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“Structure of nanoscale mesoporous silica spheres?”.Van Tendeloo G, Lebedev OI, Collart O, Cool P, Vansant EF, Journal of physics : condensed matter 15, S3037 (2003)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Impact Factor: 2.649
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“Superconducting nanowires: quantum confinement and spatially dependent Hartree-Fock potential”. Chen Y, Croitoru MD, Shanenko AA, Peeters FM, Journal of physics : condensed matter 21, 435701 (2009). http://doi.org/10.1088/0953-8984/21/43/435701
Abstract: It is well known that, in bulk, the solution of the Bogoliubovde Gennes equations is the same whether or not the HartreeFock term is included. Here the HartreeFock potential is position independent and so gives the same contribution to both the single-electron energies and the Fermi level (the chemical potential). Thus, the single-electron energies measured from the Fermi level (they control the solution) stay the same. This is not the case for nanostructured superconductors, where quantum confinement breaks the translational symmetry and results in a position-dependent HartreeFock potential. In this case its contribution to the single-electron energies depends on the relevant quantum numbers. We numerically solved the Bogoliubovde Gennes equations with the HartreeFock term for a clean superconducting nanocylinder and found a shift of the curve representing the thickness-dependent oscillations of the critical superconducting temperature to larger diameters.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 12
DOI: 10.1088/0953-8984/21/43/435701
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“Swift heavy ion irradiation of Cu-Zn-Al and Cu-Al-Ni alloys”. Zelaya E, Tolley A, Condo AM, Schumacher G, Journal of physics : condensed matter 21, 185009 (2009). http://doi.org/10.1088/0953-8984/21/18/185009
Abstract: The effects produced by swift heavy ions in the martensitic (18R) and austenitic phase (beta) of Cu based shape memory alloys were characterized. Single crystal samples with a surface normal close to [210](18R) and [001](beta) were irradiated with 200 MeV of Kr(15+), 230 MeV of Xe(15+), 350 and 600 MeV of Au(26+) and Au(29+). Changes in the microstructure were studied with transmission electron microscopy (TEM) and high resolution transmission electron microscopy (HRTEM). It was found that swift heavy ion irradiation induced nanometer sized defects in the 18R martensitic phase. In contrast, a hexagonal close-packed phase formed on the irradiated surface of beta phase samples. HRTEM images of the nanometer sized defects observed in the 18R martensitic phase were compared with computer simulated images in order to interpret the origin of the observed contrast. The best agreement was obtained when the defects were assumed to consist of local composition modulations.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.649
Times cited: 8
DOI: 10.1088/0953-8984/21/18/185009
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“The pinning effect in a parabolic quantum dot”. Mukhopadhyay S, Peeters FM, Journal of physics : condensed matter 14, 8005 (2002). http://doi.org/10.1088/0953-8984/14/34/319
Abstract: Using improved Wigner-Brillouin perturbation theory we study resonant electron-phonon interaction in a semiconductor quantum dot. We predict pinning of the excited energy levels to the ground state level plus one optical phonon as a function of the strength of the confinement potential. This effect should be observable through optical spectroscopic measurements.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 4
DOI: 10.1088/0953-8984/14/34/319
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“Time dependent properties of classical artificial atoms”. Schweigert VA, Peeters FM, Journal of physics : condensed matter 10, 2417 (1998). http://doi.org/10.1088/0953-8984/10/11/006
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 18
DOI: 10.1088/0953-8984/10/11/006
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“Valley polarization due to trigonal warping on tunneling electrons in graphene”. Pereira JM, Peeters FM, Costa Filho RN, Farias GA, Journal of physics : condensed matter 21, 045301 (2009). http://doi.org/10.1088/0953-8984/21/4/045301
Abstract: The effect of trigonal warping on the transmission of electrons tunneling through potential barriers in graphene is investigated. We present calculations of the transmission coefficient for single and double barriers as a function of energy, incidence angle and barrier heights. The results show remarkable valley-dependent directional effects for barriers oriented parallel to the armchair or parallel to the zigzag direction. These results indicate that electrostatic gates can be used as valley filters in graphene-based devices.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 78
DOI: 10.1088/0953-8984/21/4/045301
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“Giant magnetic anisotropy in doped single layer molybdenum disulfide and fluorographene”. Sivek J, Sahin H, Partoens B, Peeters FM, Journal of physics : condensed matter 28, 195301 (2016). http://doi.org/10.1088/0953-8984/28/19/195301
Abstract: Stable monolayer materials based on existing, well known and stable two-dimensional crystal fluorographene and molybdenum disulfide are predicted to exhibit a huge magnetocrystalline anisotropy when functionalized with adsorbed transition metal atoms at vacant sides. Ab initio calculations within the density-functional theory formalism were performed to investigate the adsorption of the transitional metals in a single S (or F) vacancy of monolayer molybdenum disulfide (or fluorographene). We found strong bonding of the transitional metal atoms to the vacant sites with binding energies ranging from 2.5 to 5.2 eV. Our calculations revealed that these systems with adsorbed metal atoms exhibit a magnetic anisotropy, specifically the structures including Os and Ir show a giant magnetocrystalline anisotropy energy of 31-101 meV. Our results demonstrate the possibility of obtaining stable monolayer materials with huge magnetocrystalline anisotropy based on preexisting, well known and stable two-dimensional crystals: fluorographene and molybdenum disulfide. We believe that the results obtained here are useful not only for deeper understanding of the origin of magnetocrystalline anisotropy but also for the design of monolayer optoelectronic devices with novel functionalities.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 7
DOI: 10.1088/0953-8984/28/19/195301
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“Origin of the apparent delocalization of the conduction band in a high-mobility amorphous semiconductor”. de de Meux AJ, Pourtois G, Genoe J, Heremans P, Journal of physics : condensed matter 29, 255702 (2017). http://doi.org/10.1088/1361-648X/AA608C
Abstract: In this paper, we show that the apparent delocalization of the conduction band reported from first-principles simulations for the high-mobility amorphous oxide semiconductor InGaZnO4 (a-IGZO) is an artifact induced by the periodic conditions imposed to the model. Given a sufficiently large unit-cell dimension (over 40 angstrom), the conduction band becomes localized. Such a model size is up to four times the size of commonly used models for the study of a-IGZO. This finding challenges the analyses done so far on the nature of the defects and on the interpretation of numerous electrical measurements. In particular, we re-interpret the meaning of the computed effective mass reported so far in literature. Our finding also applies to materials such as SiZnSnO, ZnSnO, InZnSnO, In2O3 or InAlZnO4 whose models have been reported to display a fully delocalized conduction band in the amorphous phase.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.649
Times cited: 5
DOI: 10.1088/1361-648X/AA608C
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“Aluminum and lithium sulfur batteries : a review of recent progress and future directions”. Akgenc B, Sarikurt S, Yagmurcukardes M, Ersan F, Journal Of Physics-Condensed Matter 33, 253002 (2021). http://doi.org/10.1088/1361-648X/ABFA5E
Abstract: Advanced materials with various micro-/nanostructures have attracted plenty of attention for decades in energy storage devices such as rechargeable batteries (ion- or sulfur based batteries) and supercapacitors. To improve the electrochemical performance of batteries, it is uttermost important to develop advanced electrode materials. Moreover, the cathode material is also important that it restricts the efficiency and practical application of aluminum-ion batteries. Among the potential cathode materials, sulfur has become an important candidate material for aluminum-ion batteries cause of its considerable specific capacity. Two-dimensional materials are currently potential candidates as electrodes from lab-scale experiments to possible pragmatic theoretical studies. In this review, the fundamental principles, historical progress, latest developments, and major problems in Li-S and Al-S batteries are reviewed. Finally, future directions in terms of the experimental and theoretical applications have prospected.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
DOI: 10.1088/1361-648X/ABFA5E
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“Charge transport in magnetic topological ultra-thin films : the effect of structural inversion asymmetry”. Sabzalipour A, Mir M, Zarenia M, Partoens B, Journal Of Physics-Condensed Matter 33, 325702 (2021). http://doi.org/10.1088/1361-648X/AC0669
Abstract: We study the effect of structural inversion asymmetry, induced by the presence of substrates or by external electric fields, on charge transport in magnetic topological ultra-thin films. We consider general orientations of the magnetic impurities. Our results are based on the Boltzmann formalism along with a modified relaxation time scheme. We show that the structural inversion asymmetry enhances the charge transport anisotropy induced by the magnetic impurities and when only one conduction subband contributes to the charge transport a dissipationless charge current is accessible. We demonstrate how a substrate or gate voltage can control the effect of the magnetic impurities on the charge transport, and how this depends on the orientation of the magnetic impurities.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 1
DOI: 10.1088/1361-648X/AC0669
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“First-principles discovery of stable two-dimensional materials with high-level piezoelectric response”. Kocabas T, Cakir D, Sevik C, Journal Of Physics-Condensed Matter 33, 115705 (2021). http://doi.org/10.1088/1361-648X/ABD3DA
Abstract: The rational design of two-dimensional (2D) piezoelectric materials has recently garnered great interest due to their increasing use in technological applications, including sensor technology, actuating devices, energy harvesting, and medical applications. Several materials possessing high piezoelectric response have been reported so far, but a high-throughput first-principles approach to estimate the piezoelectric potential of layered materials has not been performed yet. In this study, we systematically investigated the piezoelectric (e(11), d(11)) and elastic (C-11 and C-12) properties of 128 thermodynamically stable 2D semiconductor materials by employing first-principle methods. Our high-throughput approach demonstrates that the materials containing Group-V elements produce significantly high piezoelectric strain constants, d(11) > 40 pm V-1, and 49 of the materials considered have the e(11) coefficient higher than MoS2 insomuch as BrSSb has one of the largest d(11) with a value of 373.0 pm V-1. Moreover, we established a simple empirical model in order to estimate the d(11) coefficients by utilizing the relative ionic motion in the unit cell and the polarizability of the individual elements in the compounds.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
DOI: 10.1088/1361-648X/ABD3DA
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“Formation and stability of conformal spirals in confined 2D crystals”. Silva FCO, Menezes RM, Cabral LRE, de Souza Silva CC, Journal Of Physics-Condensed Matter 32, 505401 (2020). http://doi.org/10.1088/1361-648X/ABB0A7
Abstract: We investigate the ground-state and dynamical properties of nonuniform two-dimensional (2D) clusters of long-range interacting particles. We demonstrate that, when the confining external potential is designed to produce an approximate 1/ r 2 density profile, the particles crystallize into highly ordered structures featuring spiral crystalline lines. Despite the strong inhomogeneity of the observed configurations, most of them are characterized by small density of topological defects, typical of conformal crystals, and the net topological charge induced by the simply-connected geometry of the system is concentrated near the cluster center. These crystals are shown to be robust with respect to thermal fluctuations up to a certain threshold temperature, above which the net charge is progressively redistributed from the center to the rest of the system and the topological order is lost. The crystals are also resilient to the shear stress produced by a small nonuniform azimuthal force field, rotating as a rigid body (RB). For larger forces, topological defects proliferate and the RB rotation gives place to plastic flow.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.7
DOI: 10.1088/1361-648X/ABB0A7
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“Promising room temperature thermoelectric conversion efficiency of zinc-blende AgI from first principles”. Bulut P, Beceren B, Yildirim S, Sevik C, Gurel T, Journal Of Physics-Condensed Matter 33, 015501 (2021). http://doi.org/10.1088/1361-648X/ABB867
Abstract: The theoretical investigation on structural, vibrational, and electronic properties of zinc-blende (ZB) AgI were carried out employing first principles density functional theory calculations. Thermoelectric properties then were predicted through semi-classical Boltzmann transport equations within the constant relaxation time approximation. Equilibrium lattice parameter, bulk modulus, elastic constants, and vibrational properties were calculated by using generalized gradient approximation. Calculated properties are in good agreement with available experimental values. Electronic and thermoelectric properties were investigated both with and without considering spin-orbit coupling (SOC) effect which is found to have a strong influence on p-type Seebeck coefficient as well as the power factor of the ZB-AgI. By inclusion of SOC, a reduction of the band-gap and p-type Seebeck coefficients as well as the power factor was found which is the indication of that spin-orbit interaction cannot be ignored for p-type thermoelectric properties of the ZB-AgI. By using deformation potential theory for electronic relaxation time and experimentally predicted lattice thermal conductivity, we obtained aZTvalue 1.69 (0.89) at 400 K for n-type (p-type) carrier concentration of 1.5 x 10(18)(4.6 x10(19)) cm(-3)that makes ZB-AgI as a promising room temperature thermoelectric material.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
DOI: 10.1088/1361-648X/ABB867
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