“Comparison of a one-dimensional particle-in-cell-Monte Carlo model and a one-dimensional fluid model for a CH4/H2 capacitively coupled radio frequency discharge”. Ivanov V, Proshina O, Rakhimova T, Rakhimov A, Herrebout D, Bogaerts A, Journal of applied physics 91, 6296 (2002). http://doi.org/10.1063/1.1461895
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 26
DOI: 10.1063/1.1461895
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“Spin transport in a Mn-doped ZnSe asymmetric tunnel structure”. Papp G, Borza S, Peeters FM, Journal of applied physics 97, 113901 (2005). http://doi.org/10.1063/1.1861520
Abstract: Spin-dependent tunneling of electrons in a diluted magnetic semiconductor ZnSe/Zn1-xMnxSe/Zn1-yMnySe/ZnSe/Zn1-xMnxSe/ZnSe heterostructure is investigated theoretically in the presence of parallel magnetic and electric fields, but our modeling is appropriate for any dilute magnetic II-VI semiconductor system. In the studied asymmetric system the transmission of electrons and the degree of spin polarization depend on the strength of the magnetic and electric fields and on the direction of the applied bias. For suitable magnetic fields, the output current of the system exhibits a nearly 100% spin polarization and the device can be used as a spin filter. (C) 2005 American Institute of Physics.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 26
DOI: 10.1063/1.1861520
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“Tensile strained Ge tunnel field-effect transistors: k\cdot p material modeling and numerical device simulation”. Kao K-H, Verhulst AS, Van de Put M, Vandenberghe WG, Sorée B, Magnus W, De Meyer K, Journal of applied physics 115, 044505 (2014). http://doi.org/10.1063/1.4862806
Abstract: Group IV based tunnel field-effect transistors generally show lower on-current than III-V based devices because of the weaker phonon-assisted tunneling transitions in the group IV indirect bandgap materials. Direct tunneling in Ge, however, can be enhanced by strain engineering. In this work, we use a 30-band k.p method to calculate the band structure of biaxial tensile strained Ge and then extract the bandgaps and effective masses at Gamma and L symmetry points in k-space, from which the parameters for the direct and indirect band-to-band tunneling (BTBT) models are determined. While transitions from the heavy and light hole valence bands to the conduction band edge at the L point are always bridged by phonon scattering, we highlight a new finding that only the light-holelike valence band is strongly coupling to the conduction band at the Gamma point even in the presence of strain based on the 30-band k.p analysis. By utilizing a Technology Computer Aided Design simulator equipped with the calculated band-to-band tunneling BTBT models, the electrical characteristics of tensile strained Ge point and line tunneling devices are self-consistently computed considering multiple dynamic nonlocal tunnel paths. The influence of field-induced quantum confinement on the tunneling onset is included. Our simulation predicts that an on-current up to 160 (260) mu A/mu m can be achieved along with on/off ratio > 10(6) for V-DD = 0.5V by the n-type (p-type) line tunneling device made of 2.5% biaxial tensile strained Ge. (C) 2014 AIP Publishing LLC.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 26
DOI: 10.1063/1.4862806
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“Observation of Co/CoO nanoparticles below the critical size for exchange bias”. Dobrynin AN, Temst K, Lievens P, Margueritat J, Gonzalo J, Afonso CN, Piscopiello E, Van Tendeloo G, Journal of applied physics 101, 113913 (2007). http://doi.org/10.1063/1.2736303
Abstract: We compare the magnetic properties of pure and oxidized Co nanoparticles embedded in an amorphous Al2O3 matrix. Nanoparticles with diameters of 2 or 3 nm were prepared by alternate pulsed laser deposition in high vacuum conditions, and some of them were exposed to O-2 after production and before being embedded. The nanoparticles are organized in layers, the effective edge-to-edge in-depth separation being 5 or 10 nm. The lower saturation magnetizations per Co atom for the samples containing oxidized nanoparticles provide evidence for the formation of antiferromagnetic CoO shells in the nanoparticles. None of the samples with Co/CoO nanoparticles show exchange bias, while vertical hysteresis loop shifts and enhanced coercivities (as compared to samples with pure Co nanoparticles) are observed. This constitutes evidence for the nanoparticles size being in all cases smaller than the critical size for exchange bias. The difference in coercivity versus temperature dependences for the samples with pure and oxidized Co nanoparticles shows that the exchange anisotropy in Co/CoO nanoparticles appears at temperatures lower than 50 K. (c) 2007 American Institute of Physics.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.068
Times cited: 27
DOI: 10.1063/1.2736303
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“Oxide phase determination in silicon using infrared spectroscopy and transmission electron microscopy techniques”. Gryse OD, Clauws P, van Landuyt J, Lebedev O, Claeys C, Simoen E, Vanhellemont J, Journal of applied physics 91, 2493 (2002). http://doi.org/10.1063/1.1429800
Abstract: Infrared absorption spectra of polyhedral and platelet oxygen precipitates in silicon are analyzed using a modified Day-Thorpe approach [J. Phys.: Condens. Matter 11, 2551 (1999)]. The aspect ratio of the precipitates is determined by transmission electron microscopy analysis. The reduced spectral function and the stoichiometry of the precipitate are extracted from the absorption spectra and the amount of precipitated interstitial oxygen. The experimental absorption spectra can be divided in a set with a Frohlich frequency of around 1100 cm(-1) and in a set with a Frohlich frequency between 1110 and 1120 cm(-1). It is shown that the shift in the Frohlich frequency is not due to a differing stoichiometry, but to the detailed structure of the reduced spectral function. Inverse modeling of the spectra suggests that the oxide precipitates consist of substoichiometric SiOgamma with gamma=1.17+/-0.14. (C) 2002 American Institute of Physics.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.068
Times cited: 27
DOI: 10.1063/1.1429800
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“Circular dichroism in the electron microscope: progress and applications (invited)”. Schattschneider P, Ennen I, Stoger-Pollach M, Verbeeck J, Journal of applied physics 107, 09d311 (2010). http://doi.org/10.1063/1.3365517
Abstract: According to theory, x-ray magnetic circular dichroism in a synchrotron is equivalent to energy loss magnetic chiral dichroism (EMCD) in a transmission electron microscope (TEM). After a synopsis of the development of EMCD, the theoretical background is reviewed and recent results are presented, focusing on the study of magnetic nanoparticles for ferrofluids and Heusler alloys for spintronic devices. Simulated maps of the dichroic strength as a function of atom position in the crystal allow evaluating the influence of specimen thickness and sample tilt on the experimental EMCD signal. Finally, the possibility of direct observation of chiral electronic transitions with atomic resolution in a TEM is discussed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.068
Times cited: 28
DOI: 10.1063/1.3365517
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“The importance of an external circuit in a particle-in-cell/Monte Carlo collisions model for a direct current planar magnetron”. Bultinck E, Kolev I, Bogaerts A, Depla D, Journal of applied physics 103, 013309 (2008). http://doi.org/10.1063/1.2828155
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 29
DOI: 10.1063/1.2828155
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“Physical modeling of strain-dependent hole mobility in Ge p-channel inversion layers”. Zhang Y, Fischetti MV, Sorée B, Magnus W, Heyns M, Meuris M, Journal of applied physics 106, 083704 (2009). http://doi.org/10.1063/1.3245327
Abstract: We present comprehensive calculations of the low-field hole mobility in Ge p-channel inversion layers with SiO2 insulator using a six-band k·p band-structure model. The cases of relaxed, biaxially, and uniaxially (both tensily and compressively) strained Ge are studied employing an efficient self-consistent methodmaking use of a nonuniform spatial mesh and of the Broyden second methodto solve the coupled envelope-wave function k·p and Poisson equations. The hole mobility is computed using the KuboGreenwood formalism accounting for nonpolar hole-phonon scattering and scattering with interfacial roughness. Different approximations to handle dielectric screening are also investigated. As our main result, we find a large enhancement (up to a factor of 10 with respect to Si) of the mobility in the case of uniaxial compressive stress similarly to the well-known case of Si. Comparison with experimental data shows overall qualitative agreement but with significant deviations due mainly to the unknown morphology of the rough Ge-insulator interface, to additional scattering with surface optical phonon from the high- insulator, to Coulomb scattering interface traps or oxide chargesignored in our calculationsand to different channel structures employed.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 29
DOI: 10.1063/1.3245327
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“First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides”. Sarmadian N, Saniz R, Partoens B, Lamoen D, Journal of applied physics 120, 085707 (2016). http://doi.org/10.1063/1.4961562
Abstract: Cu-based chalcogenides are promising materials for thin-film solar cells with more than 20% measured
cell efficiency. Using first-principles calculations based on density functional theory, the
optoelectronic properties of a group of Cu-based chalcogenides Cu2-II-IV-VI4 is studied. They are
then screened with the aim of identifying potential absorber materials for photovoltaic applications.
The spectroscopic limited maximum efficiency (SLME) introduced by Yu and Zunger [Phys. Rev.
Lett. 108, 068701 (2012)] is used as a metric for the screening. After constructing the currentvoltage
curve, the SLME is calculated from the maximum power output. The role of the nature of
the band gap, direct or indirect, and also of the absorptivity of the studied materials on the maximum
theoretical power conversion efficiency is studied. Our results show that Cu2II-GeSe4 with
II¼ Cd and Hg, and Cu2-II-SnS4 with II ¼ Cd, Hg, and Zn have a higher theoretical efficiency
compared with the materials currently used as absorber layer.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 29
DOI: 10.1063/1.4961562
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“Space charge corrected electron emission from an aluminum surface under non-equilibrium conditions”. Wendelen W, Mueller BY, Autrique D, Rethfeld B, Bogaerts A, Journal of applied physics 111, 113110 (2012). http://doi.org/10.1063/1.4729071
Abstract: A theoretical study has been conducted of ultrashort pulsed laser induced electron emission from an aluminum surface. Electron emission fluxes retrieved from the commonly employed Fowler-DuBridge theory were compared to fluxes based on a laser-induced non-equilibrium electron distribution. As a result, the two-and three-photon photoelectron emission parameters for the Fowler-DuBridge theory have been approximated. We observe that at regimes where photoemission is important, laser-induced electron emission evolves in a more smooth manner than predicted by the Fowler-DuBridge theory. The importance of the actual electron distribution decreases at higher laser fluences, whereas the contribution of thermionic emission increases. Furthermore, the influence of a space charge effect on electron emission was evaluated by a one dimensional particle-in-cell model. Depending on the fluences, the space charge reduces the electron emission by several orders of magnitude. The influence of the electron emission flux profiles on the effective electron emission was found to be negligible. However, a non-equilibrium electron velocity distribution increases the effective electron emission significantly. Our results show that it is essential to consider the non-equilibrium electron distribution as well as the space charge effect for the description of laser-induced photoemission. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4729071]
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 30
DOI: 10.1063/1.4729071
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“Laser-induced plasmas from the ablation of metallic targets: the problem of the onset temperature, and insights on the expansion dynamics”. Bleiner D, Bogaerts A, Belloni F, Nassisi V, Journal of applied physics 101, 083301 (2007). http://doi.org/10.1063/1.2721410
Abstract: Laser-induced plasmas are transient systems rapidly aging in few nanoseconds of evolution. Time-of-flight spectrometry allowed studying initial plasma characteristics based on frozen translational degrees of freedom, hence overcoming intrinsic limitations of optical spectroscopy. Experimental ion velocity distributions were reconstructed as developed during the longitudinal plasma expansion. The obtained onset plasma temperatures are in the range of similar to 18-45 eV depending on the ablated metals. Also the ion angular spreads were found to be a function of ablated metal, e.g., the narrowest for Fe, the broadest for Al, due to different collisional coupling in the plasma population. (c) 2007 American Institute of Physics.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 31
DOI: 10.1063/1.2721410
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“The role of mass removal mechanisms in the onset of ns-laser induced plasma formation”. Autrique D, Clair G, L'Hermite D, Alexiades V, Bogaerts A, Rethfeld B, Journal of applied physics 114, 023301 (2013). http://doi.org/10.1063/1.4812577
Abstract: The present study focuses on the role of mass removal mechanisms in ns-laser ablation. A copper sample is placed in argon, initially set at standard pressure and temperature. Calculations are performed for a 6 ns laser pulse with a wavelength of 532 nm and laser fluences up to 10 J/cm2. The transient behavior in and above the copper target is described by a hydrodynamic model. Transmission profiles and ablation depths are compared with experimental results and similar trends are found. Our calculations reveal an interesting self-inhibiting mechanism: volumetric mass removal in the supercritical region triggers plasma shielding and therefore stops proceeding. This self-limiting process indicates that volumetric mass removal does not necessarily result in large ablation depths.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 31
DOI: 10.1063/1.4812577
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“InGaAs tunnel diodes for the calibration of semi-classical and quantum mechanical band-to-band tunneling models”. Smets Q, Verreck D, Verhulst AS, Rooyackers R, Merckling C, Van De Put M, Simoen E, Vandervorst W, Collaert N, Thean VY, Sorée B, Groeseneken G, Heyns MM;, Journal of applied physics 115, 184503 (2014). http://doi.org/10.1063/1.4875535
Abstract: Promising predictions are made for III-V tunnel-field-effect transistor (FET), but there is still uncertainty on the parameters used in the band-to-band tunneling models. Therefore, two simulators are calibrated in this paper; the first one uses a semi-classical tunneling model based on Kane's formalism, and the second one is a quantum mechanical simulator implemented with an envelope function formalism. The calibration is done for In0.53Ga0.47As using several p+/intrinsic/n+ diodes with different intrinsic region thicknesses. The dopant profile is determined by SIMS and capacitance-voltage measurements. Error bars are used based on statistical and systematic uncertainties in the measurement techniques. The obtained parameters are in close agreement with theoretically predicted values and validate the semi-classical and quantum mechanical models. Finally, the models are applied to predict the input characteristics of In0.53Ga0.47As n- and p-lineTFET, with the n-lineTFET showing competitive performance compared to MOSFET.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 34
DOI: 10.1063/1.4875535
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“Microstructural and physical properties of layered manganite oxides related to the magnetoresistive perovskites”. Laffez P, Van Tendeloo G, Seshadri R, Hervieu M, Martin C, Maignan A, Raveau B, Journal of applied physics 80, 5850 (1996). http://doi.org/10.1063/1.363578
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.183
Times cited: 36
DOI: 10.1063/1.363578
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“Sharpening the shape distribution of gold nanoparticles by laser irradiation”. Resta V, Siegel J, Bonse J, Gonzalo J, Afonso CN, Piscopiello E, Van Tenedeloo G;, Journal of applied physics 100, Doi: 10.1063/1.2358822 (2006). http://doi.org/10.1063/1.2358822
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.068
Times cited: 36
DOI: 10.1063/1.2358822
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“Intersubband-coupling and screening effects on the electron transport in a quasi-two-dimensional δ-doped semiconductor system”. Hai G-Q, Studart N, Peeters FM, Koenraad PM, Wolter JH, Journal of applied physics 80, 5809 (1996). http://doi.org/10.1063/1.363573
Abstract: The effects due to intersubband coupling and screening on the ionized impurity scattering are studied for a quasi-two-dimensional electron system in delta-doped semiconductors. We found that intersubband coupling plays an essential role in describing the screening properties and the effect of ionized impurity scattering on the mobility in a multisubband system. At the onset of the occupation of a higher subband, the screening due to the intersubband coupling leads to a reduction of the small angle scattering rate in the lower subband. We showed that such an effect is significant in a delta-doped quantum well and results in a pronounced increase of the quantum mobility at the onset of the occupation of a higher subband. (C) 1996 American Institute of Physics.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.183
Times cited: 40
DOI: 10.1063/1.363573
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“Study of the Ar metastable atom population in a hollow cathode discharge by means of a hybrid model and spectrometric measurements”. Baguer N, Bogaerts A, Donko Z, Gijbels R, Sadeghi N, Journal of applied physics 97, 123305 (2005). http://doi.org/10.1063/1.1929857
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 40
DOI: 10.1063/1.1929857
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“Generalized phonon-assisted Zener tunneling in indirect semiconductors with non-uniform electric fields : a rigorous approach”. Vandenberghe W, Sorée B, Magnus W, Fischetti MV, Journal of applied physics 109, 124503 (2011). http://doi.org/10.1063/1.3595672
Abstract: A general framework to calculate the Zener current in an indirect semiconductor with an externally applied potential is provided. Assuming a parabolic valence and conduction band dispersion, the semiconductor is in equilibrium in the presence of the external field as long as the electron-phonon interaction is absent. The linear response to the electron-phonon interaction results in a non-equilibrium system. The Zener tunneling current is calculated from the number of electrons making the transition from valence to conduction band per unit time. A convenient expression based on the single particle spectral functions is provided, enabling the evaluation of the Zener tunneling current under any three-dimensional potential profile. For a one-dimensional potential profile an analytical expression is obtained for the current in a bulk semiconductor, a semiconductor under uniform field, and a semiconductor under a non-uniform field using the WKB (Wentzel-Kramers-Brillouin) approximation. The obtained results agree with the Kane result in the low field limit. A numerical example for abrupt p-n diodes with different doping concentrations is given, from which it can be seen that the uniform field model is a better approximation than the WKB model, but a direct numerical treatment is required for low bias conditions.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 41
DOI: 10.1063/1.3595672
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“Effect of ambient pressure on laser ablation and plume expansion dynamics: a numerical simulation”. Chen Z, Bleiner D, Bogaerts A, Journal of applied physics 99, 063304 (2006). http://doi.org/10.1063/1.2182078
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 42
DOI: 10.1063/1.2182078
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“Thickness dependence of the resistivity of platinum-group metal thin films”. Dutta S, Sankaran K, Moors K, Pourtois G, Van Elshocht S, Bommels J, Vandervorst W, Tokei Z, Adelmann C, Journal of applied physics 122, 025107 (2017). http://doi.org/10.1063/1.4992089
Abstract: We report on the thin film resistivity of several platinum-group metals (Ru, Pd, Ir, and Pt). Platinum-group thin films show comparable or lower resistivities than Cu for film thicknesses below about 5 nm due to a weaker thickness dependence of the resistivity. Based on experimentally determined mean linear distances between grain boundaries as well as ab initio calculations of the electron mean free path, the data for Ru, Ir, and Cu were modeled within the semiclassical Mayadas-Shatzkes model [Phys. Rev. B 1, 1382 (1970)] to assess the combined contributions of surface and grain boundary scattering to the resistivity. For Ru, the modeling results indicated that surface scattering was strongly dependent on the surrounding material with nearly specular scattering at interfaces with SiO2 or air but with diffuse scattering at interfaces with TaN. The dependence of the thin film resistivity on the mean free path is also discussed within the Mayadas-Shatzkes model in consideration of the experimental findings. Published by AIP Publishing.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 42
DOI: 10.1063/1.4992089
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“Hybrid modeling of a capacitively coupled radio frequency glow discharge in argon: combined Monte Carlo and fluid model”. Bogaerts A, Gijbels R, Goedheer W, Japanese journal of applied physics 38, 4404 (1999). http://doi.org/10.1143/JJAP.38.4404
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.384
Times cited: 45
DOI: 10.1143/JJAP.38.4404
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“Tunable giant magnetoresistance with magnetic barriers”. Papp G, Peeters FM, Journal of applied physics 100, 043707 (2006). http://doi.org/10.1063/1.2266301
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 49
DOI: 10.1063/1.2266301
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“Role of Ar2+ and Ar+2 ions in a direct current argon glow discharge: a numerical description”. Bogaerts A, Gijbels R, Journal of applied physics 86, 4124 (1999). http://doi.org/10.1063/1.371337
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 50
DOI: 10.1063/1.371337
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“Monolayers of MoS2 as an oxidation protective nanocoating material”. Sen HS, Sahin H, Peeters FM, Durgun E, Journal of applied physics 116, 083508 (2014). http://doi.org/10.1063/1.4893790
Abstract: First-principle calculations are employed to investigate the interaction of oxygen with ideal and defective MoS2 monolayers. Our calculations show that while oxygen atoms are strongly bound on top of sulfur atoms, the oxygen molecule only weakly interacts with the surface. The penetration of oxygen atoms and molecules through a defect-free MoS2 monolayer is prevented by a very high diffusion barrier indicating that MoS2 can serve as a protective layer for oxidation. The analysis is extended to WS2 and similar coating characteristics are obtained. Our calculations indicate that ideal and continuous MoS2 and WS2 monolayers can improve the oxidation and corrosion-resistance of the covered surface and can be considered as an efficient nanocoating material. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 52
DOI: 10.1063/1.4893790
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“Tuning the bandgap and introducing magnetism into monolayer BC3 by strain/defect engineering and adatom/molecule adsorption”. Bafekry A, Shayesteh SF, Ghergherehchi M, Peeters FM, Journal of applied physics 126, 144304 (2019). http://doi.org/10.1063/1.5097264
Abstract: Using first-principles calculations, we study the structural, electronic, and optical properties of pristine BC3. Our results show that BC3 is a semiconductor which can be useful in optoelectronic device applications. Furthermore, we found that the electronic properties of BC3 can be modified by strain and the type of edge states. With increasing thickness, the indirect bandgap decreases from 0.7 eV (monolayer) to 0.27 eV (bulk). Upon uniaxial tensile strain along the armchair and zigzag directions, the bandgap slightly decreases, and with increasing uniaxial strain, the bandgap decreases, and when reaching -8%, a semiconductor-to-metal transition occurs. By contrast, under biaxial strain, the bandgap increases to 1.2 eV in +8% and decreases to zero in -8%. BC3 nanoribbons with different widths exhibit magnetism at the zigzag edges, while, at the armchair edges, they become semiconductor, and the bandgap is in the range of 1.0-1.2 eV. Moreover, we systematically investigated the effects of adatoms/molecule adsorption and defects on the structural, electronic, and magnetic properties of BC3. The adsorption of various adatoms and molecules as well as topological defects (vacancies and Stone-Wales defects) can modify the electronic properties. Using these methods, one can tune BC3 into a metal, half-metal, ferromagnetic-metal, and dilute-magnetic semiconductor or preserve its semiconducting character. Published under license by AIP Publishing.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 56
DOI: 10.1063/1.5097264
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“Particle-in-cell/Monte Carlo simulation of a capacitively coupled radio frequency Ar/Cf4 discharge: effect of gas composition”. Georgieva V, Bogaerts A, Gijbels R, Journal of applied physics 93, 2369 (2003). http://doi.org/10.1063/1.1542920
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 57
DOI: 10.1063/1.1542920
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“The role of fast argon ions and atoms in the ionization of argon in a direct current glow discharge: a mathematical simulation”. Bogaerts A, Gijbels R, Journal of applied physics 78, 6427 (1995). http://doi.org/10.1063/1.360526
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.183
Times cited: 60
DOI: 10.1063/1.360526
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“Anisotropic electronic, mechanical, and optical properties of monolayer WTe2”. Torun E, Sahin H, Cahangirov S, Rubio A, Peeters FM, Journal of applied physics 119, 074307 (2016). http://doi.org/10.1063/1.4942162
Abstract: Using first-principles calculations, we investigate the electronic, mechanical, and optical properties of monolayer WTe2. Atomic structure and ground state properties of monolayer WTe2 (T-d phase) are anisotropic which are in contrast to similar monolayer crystals of transition metal dichalcogenides, such as MoS2, WS2, MoSe2, WSe2, and MoTe2, which crystallize in the H-phase. We find that the Poisson ratio and the in-plane stiffness is direction dependent due to the symmetry breaking induced by the dimerization of the W atoms along one of the lattice directions of the compound. Since the semimetallic behavior of the T-d phase originates from this W-W interaction (along the a crystallographic direction), tensile strain along the dimer direction leads to a semimetal to semiconductor transition after 1% strain. By solving the Bethe-Salpeter equation on top of single shot G(0)W(0) calculations, we predict that the absorption spectrum of T-d-WTe2 monolayer is strongly direction dependent and tunable by tensile strain. (C) 2016 AIP Publishing LLC.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 62
DOI: 10.1063/1.4942162
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“Calculation of gas heating in direct current argon glow discharges”. Bogaerts A, Gijbels R, Serikov VV, Journal of applied physics 87, 8334 (2000). http://doi.org/10.1063/1.373545
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 63
DOI: 10.1063/1.373545
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“Two-dimensional carbon nitride (2DCN) nanosheets : tuning of novel electronic and magnetic properties by hydrogenation, atom substitution and defect engineering”. Bafekry A, Shayesteh SF, Peeters FM, Journal of applied physics 126, 215104 (2019). http://doi.org/10.1063/1.5120525
Abstract: By employing first-principles calculations within the framework of density functional theory, we investigated the structural, electronic, and magnetic properties of graphene and various two-dimensional carbon-nitride (2DNC) nanosheets. The different 2DCN gives rise to diverse electronic properties such as metals (C3N2), semimetals (C4N and C9N4), half-metals (C4N3), ferromagnetic-metals (C9N7), semiconductors (C2N, C3N, C3N4, C6N6, and C6N8), spin-glass semiconductors (C10N9 and C14N12), and insulators (C2N2). Furthermore, the effects of adsorption and substitution of hydrogen atoms as well as N-vacancy defects on the electronic and magnetic properties are systematically studied. The introduction of point defects, including N vacancies, interstitial H impurity into graphene and different 2DCN crystals, results in very different band structures. Defect engineering leads to the discovery of potentially exotic properties that make 2DCN interesting for future investigations and emerging technological applications with precisely tailored properties. These properties can be useful for applications in various fields such as catalysis, energy storage, nanoelectronic devices, spintronics, optoelectronics, and nanosensors. Published under license by AIP Publishing.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 70
DOI: 10.1063/1.5120525
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