“Magneto-oscillations of the gate current in a laterally modulated two-dimensional electron gas”. Blom FAP, Peeters FM, van de Zanden K, van Hove M, Surface science : a journal devoted to the physics and chemistry of interfaces 361/362, 851 (1996). http://doi.org/10.1016/0039-6028(96)00549-3
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.925
Times cited: 1
DOI: 10.1016/0039-6028(96)00549-3
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“Metallic nanoparticles on plasma treated carbon nanotubes : $Nano2hybrids$”. Bittencourt C, Felten A, Douhard B, Colomer J-F, Van Tendeloo G, Drube W, Ghijsen J, Pireaux J-J, Surface science : a journal devoted to the physics and chemistry of interfaces
T2 –, International Conference on NANO-Structures Self Assembling, JUL 02-06, 2006, Aix en Provence, FRANCE 601, 2800 (2007). http://doi.org/10.1016/j.susc.2006.12.045
Abstract: Multi-wall carbon nanotubes (MWCNTs) were decorated with metal clusters by thermal evaporation. Transmission electron microscopy (TEM) shows that the nature and extent of metal coverage can be varied by plasma treating the MWCNT surface. The metal clusters on oxygen plasma treated arc-discharge MWCNTs have a more dense distribution than the clusters evaporated on as-synthesized are-discharge MWCNTs. In contrast, the plasma treatment did not affect the cluster distribution on CVD MWCNTs. Analyses of the valence band and the core levels by X-ray photoelectron spectroscopy suggest poor charge transfer between gold clusters and MWCNTs; on the contrary suggest good charge transfer between Ni clusters and MWCNTs. (c) 2007 Elsevier B. V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.062
Times cited: 44
DOI: 10.1016/j.susc.2006.12.045
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“Organic SIMS: the influence of time on the ion yield enhancement by silver and gold deposition”. Adriaensen L, Vangaever F, Gijbels R, Applied surface science 231/232, 256 (2004). http://doi.org/10.1016/j.apsusc.2004.03.031
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.387
Times cited: 10
DOI: 10.1016/j.apsusc.2004.03.031
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“Photoelectric and electrical responses of several erbium silicide/silicon interfaces”. Muret P, Nguyen TTA, Frangis N, Van Tendeloo G, van Landuyt J, Applied surface science
T2 –, International Symposium on Si Heterostructures –, From Physics to Devices, SEP 11-14, 1995, IRAKLION, GREECE 102, 173 (1996). http://doi.org/10.1016/0169-4332(96)00042-6
Abstract: In this work, photoelectric yield and electrical properties of several types of epitaxial erbium silicide on silicon Schottky diodes are studied, Different preparation conditions are used simultaneously on n- and p-Si(111) substrates for the 200 Angstrom thick silicide films. A last type of sample consists in 1.3 monolayer of epitaxial silicide with root 3 X root 3 superstructure on the Si substrate and covered by silver on the top. Photocurrent measurements are done as a function of photon energy at several temperatures. All these samples show barrier heights near 1 eV on p-type Si, even for the interface comprising only 1.3 monolayer of silicide whereas barrier heights on n-rype Si span the range from 0.28 to 0.67 eV for this last kind of sample, the sum of the barriers always exceeding the silicon band gap, These photoelectric results are confirmed by electrical characterisations, All these results show that the Fermi level is pinned 0.1 eV below the conduction band edge on p-type Si but shifts to various positions lower within the band gap on n-type Si. This fact leads to the hypothesis of a density of -7 interface states close to the charge change in the Si depletion zone from p- to n-type, namely 10(12) eV(-1) cm(-2). Although some inhomogeneities and defects at the interface are detected by electron microscopy for samples annealed at 750 degrees C, Fermi level position seems rather insensitive to the structural details of the interface while the silicide thickness plays a role on n-type Si.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.711
Times cited: 3
DOI: 10.1016/0169-4332(96)00042-6
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“Resonant bound bipolarons in a superlattice in a high magnetic field”. Shi JM, Peeters FM, Devreese JT, Surface science : a journal devoted to the physics and chemistry of interfaces 361/362, 397 (1996). http://doi.org/10.1016/0039-6028(96)00430-X
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 1.925
DOI: 10.1016/0039-6028(96)00430-X
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“Resonant magnetopolaron coupling to both polar and neutral optical phonons in the layer compound InSe”. Peeters FM, Wu XG, Devreese JT, Watts M, Nicholas RJ, Howell DF, van Bockstal L, Herlach F, Langerak CJGM, Singleton J, Chevy A, Surface science 263, 654 (1992). http://doi.org/10.1016/0039-6028(92)90429-A
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 1.925
Times cited: 4
DOI: 10.1016/0039-6028(92)90429-A
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“Resonant tunneling through D- states”. Lok JGS, Geim AK, Maan JC, Marmorkos I, Peeters FM, Mori N, Eaves L, McDonnell P, Henini M, Sakai JW, Main PC, Surface science : a journal devoted to the physics and chemistry of interfaces 361/362, 247 (1996)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.925
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“Resonant tunnelling through D- states”. Lok JGS, Geim AK, Maan JC, Marmorkos I, Peeters FM, Mori N, Eaves L, McDonnell P, Henini M, Sakai JW, Main PC;, Surface science : a journal devoted to the physics and chemistry of interfaces
T2 –, 11th International Conference on the Electronic Properties of 2-Dimensional Systems (EP2DS XI), August 07-11, 1995, Univ. Nottingham, Nottingham, England 362, 247 (1996). http://doi.org/10.1016/0039-6028(96)00395-0
Abstract: We have studied tunnelling through Si donors incorporated in the quantum well of double barrier resonant tunnelling devices. In addition to a resonance associated with the ground state of a single donor (1s level), a novel donor-related resonance at a smaller binding energy is observed in high magnetic fields where it becomes dominant over the Is resonance. We attribute this novel feature to a D-minus state of a shallow donor.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.925
DOI: 10.1016/0039-6028(96)00395-0
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“Round-robin investigation of silicon-oxide on silicon reference materials for ellipsometry”. Vanhellemont J, Maes HE, Schaekers M, Armigliato A, Cerva H, Cullis A, de Sande J, Dinges H, Hallais J, Nayar V, Pickering C, Stehlé, JL, Van Landuyt J, Walker C, Werner H, Salieri P;, Applied surface science
T2 –, SYMP ON DIAGNOSTIC TECHNIQUES FOR SEMICONDUCTOR MATERIALS ANALYSIS AND, FABRICATION PROCESS CONTROL, AT THE 1992 SPRING CONF OF THE EUROPEAN, MATERIALS RESEARCH SOC, JUN 02-05, 1992, STRASBOURG, FRANCE 63, 45 (1993). http://doi.org/10.1016/0169-4332(93)90062-G
Abstract: The main results and conclusions are presented of a round robin study of silicon oxide on silicon reference samples for ellipsometry. The oxide films with nominal thicknesses of 10, 50 and 120 nm are grown by thermal oxidation. The oxide film thicknesses have been determined by single wavelength ellipsometry (SWE), by spectroscopic ellipsometry (SE) and by cross-sectional conventional and high-resolution transmission electron microscopy (TEM and HREM) in different laboratories. The main conclusions are that special precautions have to be taken in order to use TEM as a reliable thickness measurement technique; that single wavelength ellipsometry can be used with great accuracy and reproducibility for the 50 and 120 nm film thicknesses but that it shows some inherent problems for the 10 nm films; and that spectroscopic ellipsometry showed for all film thicknesses an accuracy and reproducibility which is clearly superior to that of SWE.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.711
Times cited: 13
DOI: 10.1016/0169-4332(93)90062-G
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“S-SIMS and MetA-SIMS study of organic additives in thin polymer coatings”. Adriaensen L, Vangaever F, Lenaerts J, Gijbels R, Applied surface science 252, 6628 (2006). http://doi.org/10.1016/j.apsusc.2006.02.275
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.387
Times cited: 3
DOI: 10.1016/j.apsusc.2006.02.275
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“Selectivity of Mo-NC sites for electrocatalytic N₂, reduction : a function of the single atom position on the surface and local carbon topologies”. Nematollahi P, Applied surface science 612, 155908 (2023). http://doi.org/10.1016/J.APSUSC.2022.155908
Abstract: Transition metal (TM) doped two-dimensional single-atom catalysts are known as a promising class of catalysts for electrocatalytic gas conversion. However, the detailed mechanisms that occur at the surface of these catalysts are still unknown. In the present work, we simulate three Mo-doped nitrogenated graphene structures. In each catalyst, the position of the Mo active site and the corresponding local carbon topologies are different, i.e. MoN4C10 with in-plane Mo atom, MoN4C8 in which Mo atom bridges two adjacent armchair-like graphitic edges, and MoN2C3 in which Mo is doped at the edge of the graphene sheet. Using Density Functional Theory (DFT) calculations we discuss the electrocatalytic activity of Mosingle bondNsingle bondC structures for nitrogen reduction reaction (NRR) with a focus on unraveling the corresponding mechanisms concerning different Mo site positions and C topologies. Our results indicate that the position of the active site centers has a great effect on its electrocatalytic behavior. The gas phase N2 efficiently reduces to ammonia on MoN4C8 via the distal mechanism with an onset potential of −0.51 V. We confirm that the proposed pyridinic structure, MoN4C8, can catalyze NRR effectively with a low overpotential of 0.35 V.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.7
DOI: 10.1016/J.APSUSC.2022.155908
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“Stability and dynamical properties of a double-layer Wigner crystal in two dimensions”. Goldoni G, Schweigert V, Peeters FM, Surface science : a journal devoted to the physics and chemistry of interfaces 361/362, 163 (1996). http://doi.org/10.1016/0039-6028(96)00359-7
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.925
Times cited: 4
DOI: 10.1016/0039-6028(96)00359-7
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“Stable Janus TaSe₂, single-layers via surface functionalization”. Kahraman Z, Baskurt M, Yagmurcukardes M, Chaves A, Sahin H, Applied Surface Science 538, 148064 (2021). http://doi.org/10.1016/J.APSUSC.2020.148064
Abstract: First-principles calculations are performed in order to investigate the formation of Janus structures of single layer TaSe2. The structural optimizations and phonon band dispersions reveal that the formation and stability of hydrogenated (HTaSe2), fluorinated (FTaSe2), and the one-side hydrogenated and one-side fluorinated (Janus-HTaSe2F) single-layers are feasible in terms of their phonon band dispersions. It is shown that bare metallic single-layer TaSe2 can be turned into a semiconductor as only one of its surface is functionalized while it remains as a metal via its two surfaces functionalization. In addition, the semiconducting nature of single-layers HTaSe2 and FTaSe2 and the metallic behavior of Janus TaSe2 are found to be robust under applied uniaxal strains. Further analysis on piezoelectric properties of the predicted single-layers reveal the enhanced in-plane and out of-plane piezoelectricity via formed Janus-HTaSe2F. Our study indicates that single-layer TaSe2 is a suitable host material for surface functionalization via fluorination and hydrogenation which exhibit distinctive electronic and vibrational properties.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.387
DOI: 10.1016/J.APSUSC.2020.148064
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“Surface functionalization of the honeycomb structure of zinc antimonide (ZnSb) monolayer : a first-principles study”. Bafekry A, Shahrokhi M, Yagmurcukardes M, Gogova D, Ghergherehchi M, Akgenc B, Feghhi SAH, Surface Science 707, 121796 (2021). http://doi.org/10.1016/J.SUSC.2020.121796
Abstract: Structural, electronic, optic and vibrational properties of Zinc antimonide (ZnSb) monolayers and their func-tionalized (semi-fluorinated and fully chlorinated) structures are investigated by means of the first-principles calculations. The phonon dispersion curves reveal the presence of imaginary frequencies and thus confirm the dynamical instability of ZnSb monolayer. The calculated electronic band structure corroborates the metallic character with fully-relativistic calculations. Moreover, we analyze the surface functionalization effect on the structural, vibrational, and electronic properties of the pristine ZnSb monolayer. The semi-fluorinated and fully-chlorinated ZnSb monolayers are shown to be dynamically stable in contrast to the ZnSb monolayer. At the same time, semi-fluorination and fully-chlorination of ZnSb monolayer could effectively modulate the metallic elec-tronic properties of pristine ZnSb. In addition, a magnetic metal to a nonmagnetic semiconductor transition with a band gap of 1 eV is achieved via fluorination, whereas a transition to a semiconducting state with 1.4 eV band gap is found via chlorination of the ZnSb monolayer. According to the optical properties analysis, the first ab-sorption peaks of the fluorinated-and chlorinated-ZnSb monolayers along the in-plane polarization are placed in the infrared range of spectrum, while they are in the middle ultraviolet for the out-of-plane polarization. Interestingly, the optically anisotropic behavior of these novel monolayers along the in-plane polarizations is highly desirable for design of polarization-sensitive photodetectors. The results of the calculations clearly proved that the tunable electronic properties of the ZnSb monolayer can be realized by chemical functionalization for application in the next generation nanoelectronic devices.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.062
DOI: 10.1016/J.SUSC.2020.121796
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“Synthesis and characterization of nanocrystal zeolite/mesoporous matrix composite material”. Gagea BC, Liang D, Van Tendeloo G, Martens JA, Jacobs PA, Studies in surface science and catalysis 162, 259 (2006). http://doi.org/10.1016/S0167-2991(06)80915-8
Keywords: P1 Proceeding; Electron microscopy for materials research (EMAT)
Times cited: 8
DOI: 10.1016/S0167-2991(06)80915-8
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“Synthesis &ndash, properties correlation and the unexpected role of the titania support on the Grignard surface modification”. Van Dijck JG, Mampuys P, Ching HYV, Krishnan D, Baert K, Hauffman T, Verbeeck J, Van Doorslaer S, Maes BUW, Dorbec M, Buekenhoudt A, Meynen V, Applied Surface Science 527, 146851 (2020). http://doi.org/10.1016/J.APSUSC.2020.146851
Abstract: While the impact of reaction conditions on surface modification with Grignard reactants has been studied for silica supports, such information is absent for metal oxides like titania. Differences between modified titania and silica are observed, making it paramount to explore the reaction mechanism. A detailed study on the impact of the reaction conditions is reported, with a focus on the chain length of the alkyl Grignard reactant, its concentration, the reaction time and temperature, and the type of titania support. While the increase in the chain length reduces the amount of organic groups on the surface, the concentration, time and temperature show little/no influence on the modification degree. However, the type of titania support used and the percentage of amorphous phase present has a significant impact on the amount of grafted groups. Even though the temperature and concentration show no clear impact on the modification degree, they can cause changes in the surface hydroxyl population, which are thus not linked to the modification degree. Furthermore, the titania support is reduced during functionalization. This reduction dependents on the reaction temperature, the titania support and the chain length of the Grignard reactant. Similarly, this reduction is not linked to the modification degree.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY); Applied Electrochemistry & Catalysis (ELCAT)
Impact Factor: 6.7
Times cited: 5
DOI: 10.1016/J.APSUSC.2020.146851
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“Tailoring the functional properties of polyurethane foam with dispersions of carbon nanofiber for power generator applications”. Sathiyamoorthy S, Girijakumari G, Kannan P, Venugopal K, Thiruvottriyur Shanmugam S, Veluswamy P, De Wael K, Ikeda H, Applied surface science 449, 507 (2018). http://doi.org/10.1016/J.APSUSC.2018.01.088
Abstract: To produce effective thermoelectric nanocomposites, carbon nanofibers (CNF) incorporated polyurethane (PU) foams with nanocomposites are prepared via in-situ polymerization method to create a synergy that would produce a high thermopower. The formation mechanism of foams, the reaction kinetics, and the physical properties such as density and water absorption studied before and after CNF incorporation. The microscopy images showed a uniform dispersion of CNF in the PU matrix of the prepared foams. Spectroscopic studies such as X-ray photoelectron and laser Raman spectroscopy suggested the existence of a tight intermolecular binding interaction between the carbon nanofibers and the PU matrix in the prepared composite foams. It found that the thermopower is directly dependent on the concentration of carbon nanofiber since, with rising concentration of 1%3%, the coefficient values increased from 1.2 μV/K to 11.9 μV/K respectively, a value higher than that of earlier report. This unique nanocomposite offers a new opportunity to recycle waste heat in portable/wearable electronics and other applications, which will broaden the development of low weight and mechanical flexibility.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 3.387
Times cited: 4
DOI: 10.1016/J.APSUSC.2018.01.088
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“The microstructure and interfaces of intermediate layers in sapphire bicrystals”. Vasiliev AL, Stepantsov EA, Ivanov ZG, Verbist K, Van Tendeloo G, Olsson E, Applied surface science 119, 215 (1997)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.387
Times cited: 2
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“The role of healed N-vacancy defective BC2N sheet and nanotube by NO molecule in oxidation of NO and CO gas molecules”. Nematollahi P, Esrafili MD, Neyts EC, Surface science : a journal devoted to the physics and chemistry of interfaces 672-673, 39 (2018). http://doi.org/10.1016/J.SUSC.2018.03.002
Abstract: In this study, the healing of N-vacancy boron carbonitride nanosheet (NV-BC2NNS) and nanotube (NV-BC2NNT) by NO molecule is studied by means of density functional theory calculations. Two different N-vacancies are considered in each of these structures in which the vacancy site is surrounded by either three B-atoms (NB) or by two B- and one C-atom (NBC). By means of the healed BC2NNS and BC2NNT as a support, the removal of two toxic gas molecules (NO and CO) are applicable. It should be noted that the obtained energy barriers of both healing and oxidizing processes are significantly lower than those of graphene, carbon nanotubes or boron nitride nanostructures. Also, at the end of the oxidation process, the pure BC2NNS or BC2NNT is obtained without any additional defects. Therefore, by using this method, we can considerably purify the defective BC2NNS/BC2NNT. Moreover, according to the thermochemistry calculations we can further confirm that the healing process of the NV-BC2NNS and NV-BC2NNT by NO are feasible at room temperature. So, we can claim that this study could be very helpful in both purifying the defective BC2NNS/BC2NNT while in the same effort removing toxic NO and CO gases.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.062
Times cited: 1
DOI: 10.1016/J.SUSC.2018.03.002
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“Theoretical aspects of graphene-like group IV semiconductors”. Houssa M, van den Broek B, Scalise E, Ealet B, Pourtois G, Chiappe D, Cinquanta E, Grazianetti C, Fanciulli M, Molle A, Afanas’ev VV, Stesmans A;, Applied surface science 291, 98 (2014). http://doi.org/10.1016/j.apsusc.2013.09.062
Abstract: Silicene and germanene are the silicon and germanium counterparts of graphene, respectively. Recent experimental works have reported the growth of silicene on (1 1 1)Ag surfaces with different atomic configurations, depending on the growth temperature and surface coverage. We first theoretically study the structural and electronic properties of silicene on (1 1 1) Ag surfaces, focusing on the (4 x 4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), the corrugated silicene layer, with the Ag substrate removed, is predicted to be semiconducting, with a computed energy bandgap of about 0.3 eV. However, the hybridization between the Si 3p orbitals and the Ag 5s orbital in the silicene/(1 1 1)Ag slab model leads to an overall metallic system, with a distribution of local electronic density of states, which is related to the slightly disordered structure of the silicene layer on the (1 1 1)Ag surface. We next study the interaction of silicene and germanene with different hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (0 0 0 1)ZnS or ZnSe surfaces, which should be more energetically stable for very thin layers, silicene and germanene are found to be semiconducting. Remarkably, the nature and magnitude of their energy bandgap can be controlled by an out-of-plane electric field, an important finding for the potential use of these materials in nanoelectronic devices. (C) 2013 Elsevier B. V. All rights reserved.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.387
Times cited: 20
DOI: 10.1016/j.apsusc.2013.09.062
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“Transition energies of D- centers in a superlattice”. Shi JM, Peeters FM, Devreese JT, Surface science : a journal devoted to the physics and chemistry of interfaces 305, 220 (1994). http://doi.org/10.1016/0039-6028(94)90888-5
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 1.925
Times cited: 6
DOI: 10.1016/0039-6028(94)90888-5
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“Tunable electronic and magnetic properties of graphene/carbon-nitride van der Waals heterostructures”. Bafekry A, Akgenc B, Shayesteh SF, Mortazavi B, Applied Surface Science 505, 144450 (2020). http://doi.org/10.1016/J.APSUSC.2019.144450
Abstract: In this paper, we explore the electronic properties of C3N, C3N4 and C4N3 and graphene (Gr) van der Waals heterostructures by conducing extensive first-principles calculations. The acquired results show that these heterostructures can show diverse electronic properties, such as the metal (Gr on C3N), semiconductor with narrow band gap (Gr on C3N4) and ferromagnetic-metal (Gr on C4N3). We furthermore explored the effect of vacancies, atom substitution, topological, antisite and Stone-Wales defects on the structural and electronic properties of considered heterostructures. Our results show that the vacancy defects introduce localized states near the Fermi level and create a local magnetic moment. The Gr/C3N heterostructures with the single and double vacancy defects exhibit a ferromagnetic-metal, while Stone-Wales defects show an indirect semiconductor with the band gap of 0.2 eV. The effects of adsorption and insertion of O, C, Be, Cr, Fe and Co atoms on the electronic properties of Gr/C3N have been also elaborately studied. Our results highlight that the electronic and magnetic properties of garphene/carbon-nitride lateral heterostructures can be effectively modified by point defects and impurities.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 6.7
Times cited: 26
DOI: 10.1016/J.APSUSC.2019.144450
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“Tunable electronic and magnetic properties of MoSi₂N₄, monolayer via vacancy defects, atomic adsorption and atomic doping”. Bafekry A, Faraji M, Fadlallah MM, Khatibani AB, Ziabari A abdolahzadeh, Ghergherehchi M, Nedaei S, Shayesteh SF, Gogova D, Applied Surface Science 559, 149862 (2021). http://doi.org/10.1016/J.APSUSC.2021.149862
Abstract: The two dimensional MoSi2N4 (MSN) monolayer exhibiting rich physical and chemical properties was synthesized for the first time last year. We have used the spin-polarized density functional theory to study the effect of different types of point defects on the structural, electronic, and magnetic properties of the MSN monolayer. Adsorbed, substitutionally doped (at different lattice sites), and some kind of vacancies have been considered as point defects. The computational results show all defects studied decrease the MSN monolayer band gap. We found out the H-, O-, and P-doped MSN are n-type conductors. The arsenic-doped MSN, and MSN with vacancy defects have a magnetic moment. The MSN with a Si vacancy defect is a half-metallic which is favorable for spintronic applications, while the MSN with a single N vacancy or double vacancy (N + S) defects are metallic, i. e., beneficial as spin filters and chemical sensors.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.387
DOI: 10.1016/J.APSUSC.2021.149862
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“Two-dimensional tunneling through magnetic barriers”. Matulis A, Peeters FM, Vasilopoulos P, Surface science : a journal devoted to the physics and chemistry of interfaces 305, 434 (1994). http://doi.org/10.1016/0039-6028(94)90931-8
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.925
Times cited: 2
DOI: 10.1016/0039-6028(94)90931-8
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“Vanadium dopant- and strain-dependent magnetic properties of single-layer VI₃”. Baskurt M, Eren I, Yagmurcukardes M, Sahin H, Applied Surface Science 508, 144937 (2020). http://doi.org/10.1016/J.APSUSC.2019.144937
Abstract: Motivated by the recent synthesis of two-dimensional VI3 [Kong et al. Adv. Mater. 31, 1808074 (2019)], we investigate the effect of V doping on the magnetic and electronic properties of monolayer VI3 by means of first-principles calculations. The dynamically stable semiconducting ferromagnetic (FM) and antiferromagnetic (AFM) phases of monolayer VI3 are found to display distinctive vibrational features that the magnetic state can be distinguished by Raman spectroscopy. In order to clarify the effect of experimentally observed excessive V atoms, the magnetic and electronic properties of the V-doped VI3 structures are analyzed. Our findings indicate that partially doped VI3 structures display FM ground state while the fully-doped structure exhibits AFM ground state. The fully-doped monolayer VI3 is found to be a semiconductor with a relatively larger band gap than its pristine structure. In addition, strain-dependent electronic and magnetic properties of fully- and partially-doped VI3 structures reveal that pristine monolayer displays a FM-to-AFM phase transition with robust semiconducting nature for 5% of compressive strain, while fully-doped monolayer VI3 structure possesses AFM-to-FM semiconducting transition at tensile strains larger than 4%. In contrast, the partially-doped VI3 monolayers are found to display robust FM ground state under biaxial strain. Its dopant and strain tunable electronic and magnetic nature makes monolayer VI3 a promising material for applications in nanoscale spintronic devices.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 6.7
Times cited: 10
DOI: 10.1016/J.APSUSC.2019.144937
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“Vibrational properties of epitaxial silicene layers on (111) Ag”. Scalise E, Cinquanta E, Houssa M, van den Broek B, Chiappe D, Grazianetti C, Pourtois G, Ealet B, Molle A, Fanciulli M, Afanas’ev VV, Stesmans A;, Applied surface science 291, 113 (2014). http://doi.org/10.1016/j.apsusc.2013.08.113
Abstract: The electronic and vibrational properties of three different reconstructions of silicene on Ag(1 1 1) are calculated and compared to experimental results. The 2D epitaxial silicon layers, namely the (4 x 4), (root 13 x root 13) and (2 root 3 x 2 root 3) phases, exhibit different electronic and vibrational properties. Few peaks in the experimental Raman spectrum are identified and attributed to the vibrational modes of the silicene layers. The position and behavior of the Raman peaks with respect to the excitation energy are shown to be a fundamental tool to investigate and discern different phases of silicene on Ag( 1 1 1). (C) 2013 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.387
Times cited: 36
DOI: 10.1016/j.apsusc.2013.08.113
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