“Goodenough-Kanamori-Anderson high-temperature ferromagnetism in tetragonal transition-metal xenes”. Yorulmaz U, Šabani D, Sevik C, Milošević, MV, 2D materials 11, 035013 (2024). http://doi.org/10.1088/2053-1583/AD3E08
Abstract: Seminal Goodenough-Kanamori-Anderson (GKA) rules provide an inceptive understanding of the superexchange interaction of two magnetic metal ions bridged with an anion, and suggest fostered ferromagnetic interaction for orthogonal bridging bonds. However, there are no examples of two-dimensional (2D) materials with structure that optimizes the GKA arguments towards enhanced ferromagnetism and its critical temperature. Here we reveal that an ideally planar GKA ferromagnetism is indeed stable in selected tetragonal transition-metal xenes (tTMXs), with Curie temperature above 300 K found in CrC and MnC. We provide the general orbitally-resolved analysis of magnetic interactions that supports the claims and sheds light at the mechanisms dominating the magnetic exchange process in these structures. Furthermore, we propose the set of three GKA-like rules that will guarantee room temperature ferromagetnism. With recent advent of epitaxially-grown tetragonal 2D materials, our findings earmark tTMXs for facilitated spintronic and magnonic applications, or as a desirable magnetic constituent of functional 2D heterostructures.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 5.5
DOI: 10.1088/2053-1583/AD3E08
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“Magnetization-switching dynamics driven by chiral coupling”. Vermeulen BB, Monteiro MG, Giuliano D, Sorée B, Couet S, Temst K, Nguyen VD, Physical review applied 21, 024050 (2024). http://doi.org/10.1103/PHYSREVAPPLIED.21.024050
Abstract: The Dzyaloshinskii-Moriya interaction (DMI) is known to play a central role in stabilizing chiral spin textures such as skyrmions and domain walls (DWs). Electrical manipulation of DW and skyrmion motion offers possibilities for next-generation, scalable and energy-efficient spintronic devices. However, achieving the full potential of these nanoscale devices requires overcoming several challenges, including reliable electrical write and read techniques for these magnetic objects, and addressing pinning and Joule-heating concerns. Here, through micromagnetic simulations and analytical modeling, we show that DMI can directly induce magnetization switching of a nanomagnet with perpendicular magnetic anisotropy (PMA). We find that the switching is driven by the interplay between the DMI-induced magnetic frustration and the PMA. By introducing magnetic tunnel junctions to electrically access and control the magnetization direction of the PMA nanomagnet, we first show the potential of this concept to enable high-density fieldfree spin-orbit torque magnetic random-access memory. Ultimately, we demonstrate that it offers a way of transferring and processing spin information for logic operation without relying on current-driven DW or skyrmion motion.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 4.6
DOI: 10.1103/PHYSREVAPPLIED.21.024050
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“McMillan-Ginzburg-Landau theory of singularities and discommensurations in charge density wave states of transition metal dichalcogenides”. Moura VN, Chaves A, Peeters FM, Milošević, MV, Physical review B 109, 094507 (2024). http://doi.org/10.1103/PHYSREVB.109.094507
Abstract: The McMillan-Ginzburg-Landau (MGL) model for charge density waves (CDW) is employed in a systematic phenomenological study of the different phases that have been probed in recent experiments involving transition metal dichalcogenides. We implemented an efficient imaginary time evolution method to solve the MGL equations, which enabled us to investigate the role of different coupling parameters on the CDW patterns and to perform calculations with different energy functionals that lead to several experimentally observed singularities in the CDW phase profiles. In particular, by choosing the appropriate energy functionals, we were able to obtain phases that go beyond the well-known periodic phase slips (discommensurations), exhibiting also topological defects (i.e., vortex-antivortex pairs), domain walls where the CDW order parameter is suppressed, and even CDW with broken rotational symmetry. Finally, we briefly discuss the effect of these different CDW phases on the profile and critical temperature of the competing superconducting state.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.7
DOI: 10.1103/PHYSREVB.109.094507
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“Observation of temperature induced phase transitions in TiO superconducting thin film via infrared measurement”. Zhou S, Zhang C, Xu W, Zhang J, Xiao Y, Ding L, Wen H, Cheng X, Hu C, Li H, Li X, Peeters FM, Infrared physics and technology 137, 105160 (2024). http://doi.org/10.1016/J.INFRARED.2024.105160
Abstract: In contrast to conventional polycrystalline titanium oxide (TiO), it was found recently that the superconducting transition temperature Tc can be significantly enhanced from about 2 K to 7.4 K in cubic TiO thin films grown epitaxially on alpha-Al2O3 substrates. This kind of TiO film is also expected to have distinctive optoelectronic properties, which are still not very clear up to now. Herein, by using infrared (IR) reflection measurement we investigate the temperature-dependent optoelectronic response of a cubic TiO thin film, in which temperature induced phase transitions are observed. The semiconductor-, metallic- and semiconductor-like electronic phases of this superconducting film are found in the temperature regimes from 10 to 110 K, 110 to 220 K and above 220 K, respectively. The results obtained optically are consistent with those measured by transport experiment. Furthermore, based on an improved reflection model developed here, we extract the complex optical conductivity of the cubic TiO thin film. We are able to approximately determine the characteristic parameters (e.g., effective electron mass, carrier density, scattering time, etc.) for different electronic phases by fitting the optical conductivity with the modified Lorentz formula. These results not only deepen our understanding of the fundamental physics for cubic TiO thin films but also may find applications in optoelectronic devices based on superconductors.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.3
DOI: 10.1016/J.INFRARED.2024.105160
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“Tailoring weak and metallic phases in a strong topological insulator by strain and disorder : conductance fluctuations signatures”. Shafiei M, Fazileh F, Peeters FM, Milošević, MV, Physical review B 109, 045129 (2024). http://doi.org/10.1103/PHYSREVB.109.045129
Abstract: Transport measurements are readily used to probe different phases in disordered topological insulators (TIs), where determining topological invariants explicitly is challenging. On that note, universal conductance fluctuations (UCF) theory asserts the conductance G for an ensemble has a Gaussian distribution, and that standard deviation 8G depends solely on the symmetries and dimensions of the system. Using a real-space tight -binding Hamiltonian on a system with Anderson disorder, we explore conductance fluctuations in a thin Bi2Se3 film and demonstrate the agreement of their behavior with UCF hypotheses. We further show that magnetic field applied out-of-plane breaks the time -reversal symmetry and transforms the system's Wigner-Dyson class from root symplectic to unitary, increasing 8G by 2. Finally, we reveal that while Bi2Se3 is a strong TI, weak TI and metallic phases can be stabilized in presence of strain and disorder, and detected by monitoring the conductance fluctuations.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.7
Times cited: 1
DOI: 10.1103/PHYSREVB.109.045129
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“Terahertz magneto-optical properties of Nitrogen-doped diamond”. Xiao H, Wen H, Xu W, Cheng Y, Zhang J, Cheng X, Xiao Y, Ding L, Li H, He B, Peeters FM, Infrared physics and technology 138, 105237 (2024). http://doi.org/10.1016/J.INFRARED.2024.105237
Abstract: Nitrogen-doped diamond (N-D) is one of the most important carbon-based electronic and optical materials. Here we study the terahertz (THz) magneto-optical (MO) properties of N-D grown by microwave plasma-enhanced chemical vapor deposition. The optical microscope, SEM, XRD, Raman spectrum, FTIR spectroscopy and XPS are used for the characterization of N-D samples. Applying THz time-domain spectroscopy (TDS), in combination with the polarization test and the presence of magnetic field in Faraday geometry, THz MO transmissions through N-D are measured from 0 to 8 T at 80 K. The complex right- and left-handed circular transmission coefficients and MO conductivities for N-D are obtained accordingly. Through fitting the experimental results with theoretical formulas of the dielectric constant and MO conductivities for an electron gas, we are able to determine magneto-optically the key electronic parameters of N-D, such as the static dielectric constant epsilon b, the electron density ne, the electronic relaxation time tau, the electronic localization factor alpha and, particularly, the effective electron mass m* obtained under non-resonant condition. The dependence of these parameters upon magnetic field is examined and analyzed. We find that the MO conductivities of N-D can be described rightly by the MO Drude-Smith formulas developed by us previously. It is shown that N-doping and the presence of the magnetic field can lead towards the larger epsilon b and heavier m* in diamond, while ne/tau/alpha in N-D decreases/increases/decreases with increasing magnetic field. The results obtained from this work are benefit to us in gaining an in-depth understanding of the electronic and optoelectronic properties of N-D.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.3
DOI: 10.1016/J.INFRARED.2024.105237
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“Two new members of the covalent organic frameworks family : crystalline 2D-oxocarbon and 3D-borocarbon structures”. Hassani N, Movafegh-Ghadirli A, Mahdavifar Z, Peeters FM, Neek-Amal M, Computational materials science 241, 1 (2024). http://doi.org/10.1016/J.COMMATSCI.2024.113022
Abstract: Oxocarbons, known for over two centuries, have recently revealed a long-awaited facet: two-dimensional crystalline structures. Employing an intelligent global optimization algorithm (IGOA) alongside densityfunctional calculations, we unearthed a quasi -flat oxocarbon (C 6 0 6 ), featuring an oxygen -decorated hole, and a novel 3D-borocarbon. Comparative analyses with recently synthesized isostructures, such as 2D -porous carbon nitride (C 6 N 6 ) and 2D -porous boroxine (B 6 0 6 ), highlight the unique attributes of these compounds. All structures share a common stoichiometry of X 6 Y 6 (which we call COF-66), where X = B, C, and Y = B, N, O (with X not equal Y), exhibiting a 2D -crystalline structure, except for borocarbon C 6 B 6 , which forms a 3D crystal. In our comprehensive study, we conducted a detailed exploration of the electronic structure of X 6 Y 6 compounds, scrutinizing their thermodynamic properties and systematically evaluating phonon stability criteria. With expansive surface areas, diverse pore sizes, biocompatibility, pi-conjugation, and distinctive photoelectric properties, these structures, belonging to the covalent organic framework (COF) family, present enticing prospects for fundamental research and hold potential for biosensing applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.3
DOI: 10.1016/J.COMMATSCI.2024.113022
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“Biaxial strain tuning of exciton energy and polarization in monolayer WS2”. Kourmoulakis G, Michail A, Paradisanos I, Marie X, Glazov MM, Jorissen B, Covaci L, Stratakis E, Papagelis K, Parthenios J, Kioseoglou G, Applied Physics Letters 123 (2023). http://doi.org/10.1063/5.0167724
Abstract: We perform micro-photoluminescence and Raman experiments to examine the impact of biaxial tensile strain on the optical properties of WS2 monolayers. A strong shift on the order of −130 meV per % of strain is observed in the neutral exciton emission at room temperature. Under near-resonant excitation, we measure a monotonic decrease in the circular polarization degree under the applied strain. We experimentally separate the effect of the strain-induced energy detuning and evaluate the pure effect coming from the biaxial strain. The analysis shows that the suppression of the circular polarization degree under the biaxial strain is related to an interplay of energy and polarization relaxation channels as well as to variations in the exciton oscillator strength affecting the long-range exchange interaction.
Keywords: A1 Journal Article; Condensed Matter Theory (CMT) ;
Impact Factor: 4
DOI: 10.1063/5.0167724
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“Decoupled DFT-1/2 method for defect excitation energies”. Claes J, Partoens B, Lamoen D, Physical Review B 108, 125306 (2023). http://doi.org/10.1103/PhysRevB.108.125306
Abstract: The DFT-1/2 method is a band-gap correction with GW precision at a density functional theory (DFT) computational cost. The method was also extended to correct the gap between defect levels, allowing for the calculation of optical transitions. However, this method fails when the atomic character of the occupied and unoccupied defect levels is similar as we illustrate by two examples, the tetrahedral hydrogen interstitial and the negatively charged vacancy in diamond. We solve this problem by decoupling the effect of the occupied and unoccupied defect levels and call this the decoupled DFT-1/2 method for defects.
Keywords: A1 Journal Article; Condensed Matter Theory (CMT) ;
Impact Factor: 3.7
DOI: 10.1103/PhysRevB.108.125306
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“Control of proton transport and hydrogenation in double-gated graphene”. Tong J, Fu Y, Domaretskiy D, Della Pia F, Dagar P, Powell L, Bahamon D, Huang S, Xin B, Costa Filho RN, Vega LF, Grigorieva IV, Peeters FM, Michaelides A, Lozada-Hidalgo M, Nature 630, 619 (2024). http://doi.org/10.1038/s41586-024-07435-8
Abstract: The basal plane of graphene can function as a selective barrier that is permeable to protons but impermeable to all ions and gases, stimulating its use in applications such as membranes, catalysis and isotope separation. Protons can chemically adsorb on graphene and hydrogenate it, inducing a conductor–insulator transition that has been explored intensively in graphene electronic devices. However, both processes face energy barriersand various strategies have been proposed to accelerate proton transport, for example by introducing vacancies, incorporating catalytic metalsor chemically functionalizing the lattice. But these techniques can compromise other properties, such as ion selectivity or mechanical stability. Here we show that independent control of the electric field,<italic>E</italic>, at around 1 V nm<sup>−1</sup>, and charge-carrier density,<italic>n</italic>, at around 1 × 10<sup>14</sup> cm<sup>−2</sup>, in double-gated graphene allows the decoupling of proton transport from lattice hydrogenation and can thereby accelerate proton transport such that it approaches the limiting electrolyte current for our devices. Proton transport and hydrogenation can be driven selectively with precision and robustness, enabling proton-based logic and memory graphene devices that have on–off ratios spanning orders of magnitude. Our results show that field effects can accelerate and decouple electrochemical processes in double-gated 2D crystals and demonstrate the possibility of mapping such processes as a function of<italic>E</italic>and<italic>n</italic>, which is a new technique for the study of 2D electrode–electrolyte interfaces.
Keywords: A1 Journal Article; Condensed Matter Theory (CMT) ;
Impact Factor: 64.8
DOI: 10.1038/s41586-024-07435-8
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“Computational fluid dynamics can detect changes in airway resistance in asthmatics after acute bronchodilation”. de Backer JW, Vos WG, Devolder A, Verhulst SL, Germonpré, P, Wuyts FL, Parizel PM, de Backer W, Journal of biomechanics 41, 106 (2008). http://doi.org/10.1016/j.jbiomech.2007.07.009
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)
Impact Factor: 2.664
Times cited: 53
DOI: 10.1016/j.jbiomech.2007.07.009
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“Flow analyses in the lower airways: patient-specific model and boundary conditions”. de Backer JW, Vos WG, Gorlé, CD, Germonpré, P, Partoens B, Wuyts FL, Parizel PM, de Backer W, Medical engineering and physics 30, 872 (2008). http://doi.org/10.1016/j.medengphy.2007.11.002
Abstract: Computational fluid dynamics (CFD) is increasingly applied in the respiratory domain. The ability to simulate the flow through a bifurcating tubular system has increased the insight into the internal flow dynamics and the particular characteristics of respiratory flows such as secondary motions and inertial effects. The next step in the evolution is to apply the technique to patient-specific cases, in order to provide more information about pathological airways. This study presents a patient-specific approach where both the geometry and the boundary conditions (BC) are based on individual imaging methods using computed tomography (CT). The internal flow distribution of a 73-year-old female suffering from chronic obstructive pulmonary disease (COPD) is assessed. The validation is performed through the comparison of lung ventilation with gamma scintigraphy. The results show that in order to obtain agreement within the accuracy limits of the gamma scintigraphy scan, both the patient-specific geometry and the BC (driving pressure) play a crucial role. A minimal invasive test (CT scan) supplied enough information to perform an accurate CFD analysis. In the end it was possible to capture the pathological features of the respiratory system using the imaging and computational fluid dynamics techniques. This brings the introduction of this new technique in the clinical practice one step closer.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)
Impact Factor: 1.819
Times cited: 82
DOI: 10.1016/j.medengphy.2007.11.002
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“Functional Respiratory Imaging as a tool to personalize respiratory treatment in subjects with unilateral diaphragmatic paralysis”. Van Holsbeke CS, Leemans G, Vos WG, de Backer JW, Vinchurkar SC, Geldof M, Verdonck PR, Parizel PM, van Schil PE, de Backer WA, Respiratory care , 1 (2013). http://doi.org/10.4187/respcare.02756
Abstract: In two subjects with a unilateral diaphragmatic paralysis and complaints of dyspnea, a completely different treatment approach was chosen despite similar anatomical and physiological abnormalities. These decisions were supported by the results generated by Functional Respiratory Imaging (FRI). FRI was able to generate functional information with respect to lobar ventilation and local drug deposition. In one subject, it was found that some lobes were poorly ventilated and drug deposition simulation showed that some regions were undertreated. This subject underwent a diaphragm plication to restore the ventilation. In the other subject, it was found that all lobes were still ventilated. A conservative approach with regular follow-up was chosen to wait for spontaneous recovery of the diaphragmatic function. Both subjects improved subjectively and objectively. These cases demonstrate how novel medical imaging techniques such as FRI can be used to personalize respiratory treatment in subjects with unilateral diaphragmatic paralysis.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)
Impact Factor: 1.733
Times cited: 5
DOI: 10.4187/respcare.02756
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“Correlation between severity of sleep apnea and upper airway morphology based on advanced anatomical and functional imaging”. Vos W, de Backer J, Devolder A, Vanderveken O, Verhulst S, Salgado R, Germonpré, P, Partoens B, Wuyts F, Parizel P, de Backer W, Journal of biomechanics 40, 2207 (2007). http://doi.org/10.1016/j.jbiomech.2006.10.024
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW)
Impact Factor: 2.664
Times cited: 86
DOI: 10.1016/j.jbiomech.2006.10.024
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“Functional imaging using computational fluid dynamics to predict treatment success of mandibular advancement devices in sleep-disordered breathing”. de Backer JW, Vanderveken OM, Vos WG, Devolder A, Verhulst SL, Verbraecken JA, Parizel PM, Braem MJ, van de Heyning PH, de Backer WA, Journal of biomechanics 40, 3708 (2007). http://doi.org/10.1016/j.jbiomech.2007.06.022
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW)
Impact Factor: 2.664
Times cited: 66
DOI: 10.1016/j.jbiomech.2007.06.022
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“Andreev-type states induced by quantum confinement”. Shanenko AA, Croitoru MD, Mints RG, Peeters FM, Journal of Surface Investigation. X-ray, Synchrotron and Neutron Techniques 2, 611 (2008). http://doi.org/10.1134/S1027451008040216
Abstract: The properties of a clean superconductor with nanoscale dimensions are governed by quantum confinement of the electrons. This results in a spatially inhomogeneous superconducting condensate and in the formation of new Andreev-type quasiparticle states. These states are mainly located beyond regions where the superconducting condensate is enhanced. A numerical self-consistent solution of the Bogoliubov-de Gennes equations for a cylindrical metallic nanowire shows that these new Andreev-type states decrease the ratio of the energy gap to the critical temperature.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Times cited: 1
DOI: 10.1134/S1027451008040216
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“Dependence of superconducting properties on the size and shape of a nanoscale superconductor: from nanowire to film”. Croitoru MD, Shanenko AA, Peeters FM, Physical review : B : condensed matter and materials physics 76, 024511 (2007). http://doi.org/10.1103/PhysRevB.76.024511
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 54
DOI: 10.1103/PhysRevB.76.024511
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“High pulse area undamping of Rabi oscillations in quantum dots coupled to phonons”. Vagov A, Croitoru MD, Axt VM, Kuhn T, Peeters FM, Physica status solidi B –, Basic solid state physics 243, 2233 (2006). http://doi.org/10.1002/pssb.200668029
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Impact Factor: 1.674
Times cited: 16
DOI: 10.1002/pssb.200668029
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“Magnetic-field induced quantum-size cascades in superconducting nanowires”. Shanenko AA, Croitoru MD, Peeters FM, Physical review : B : condensed matter and materials physics 78, 024505 (2008). http://doi.org/10.1103/PhysRevB.78.024505
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 42
DOI: 10.1103/PhysRevB.78.024505
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“Nanoscale superconductivity: nanowires and nanofilms”. Shanenko AA, Croitoru MD, Peeters FM, Physica: C : superconductivity 468, 593 (2008). http://doi.org/10.1016/j.physc.2007.11.053
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Impact Factor: 1.404
Times cited: 6
DOI: 10.1016/j.physc.2007.11.053
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“Nanowires and nanofilms: superconductivity in quantum-size regime”. Peeters FM, Croitoru MD, Shanenko AA, Physica: C : superconductivity 468, 326 (2008). http://doi.org/10.1016/j.physc.2007.07.013
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Impact Factor: 1.404
Times cited: 3
DOI: 10.1016/j.physc.2007.07.013
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“New Andreev-type states in superconducting nanowires”. Shanenko AA, Croitoru MD, Mints RG, Peeters FM, Physical review letters 99, 067007 (2007). http://doi.org/10.1103/PhysRevLett.99.067007
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Impact Factor: 8.462
Times cited: 30
DOI: 10.1103/PhysRevLett.99.067007
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“Nonmonotonic field dependence of damping and reappearance of Rabi oscillations in quantum dots”. Vagov A, Croitoru MD, Axt VM, Kuhn T, Peeters FM, Physical review letters 98, 1 (2007). http://doi.org/10.1103/PhysRevLett.98.227403
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Impact Factor: 8.462
Times cited: 91
DOI: 10.1103/PhysRevLett.98.227403
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“Quantum-size effects on T-c in superconducting nanofilms”. Shanenko AA, Croitoru MD, Peeters FM, Europhysics letters 76, 498 (2006). http://doi.org/10.1209/epl/i2006-10274-6
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Impact Factor: 1.957
Times cited: 31
DOI: 10.1209/epl/i2006-10274-6
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“Shape resonances in the superconducting order parameter of ultrathin nanowires”. Shanenko AA, Croitoru MD, Physical review : B : condensed matter and materials physics 73, 012510 (2006). http://doi.org/10.1103/PhysRevB.73.012510
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 41
DOI: 10.1103/PhysRevB.73.012510
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“Size-dependent enhancement of superconductivity in Al and Sn nanowires: shape-resonance effect”. Shanenko AA, Croitoru MD, Zgirski M, Peeters FM, Arutyunov K, Physical review : B : condensed matter and materials physics 74, 052502 (2006). http://doi.org/10.1103/PhysRevB.74.052502
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 95
DOI: 10.1103/PhysRevB.74.052502
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“Superconducting nanofilms: Andreev-type states induced by quantum confinement”. Shanenko AA, Croitoru MD, Peeters FM, Physical review : B : solid state 78, 054505 (2008). http://doi.org/10.1103/PhysRevB.78.054505
Abstract: Quantum confinement of the transverse electron motion is the major effect governing the superconducting properties of high-quality metallic nanofilms, leading to a nonuniform transverse distribution of the superconducting condensate. In this case the order parameter can exhibit significant local enhancements due to these quantum-size effects and, consequently, quasiparticles have lower energies when they avoid the local enhancements of the pair condensate. Such excitations can be considered as new Andreev-type quasiparticles but now induced by quantum confinement. By numerically solving the Bogoliubovde Gennes equations and using Anderson's approximate solution to these equations, we: (a) formulate a criterion for such new Andreev-type states (NATS) and (b) study their effect on the superconducting characteristics in metallic nanofilms. We also argue that nanofilms made of low-carrier-density materials, e.g., of superconducting semiconductors, can be a more optimal choice for the observations of NATS and other quantum-size superconducting effects.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 14
DOI: 10.1103/PhysRevB.78.054505
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“Superconducting nanowires: quantum-confinement effect on the critical magnetic field and supercurrent”. Croitoru MD, Shanenko AA, Peeters FM, International journal of modern physics: B: condensed matter physics, statistical physics, applied physics
T2 –, 32nd International Workshop on Condensed Matter Theories, Aug 12-19, 2008, Loughborough Univ, Loughborough, England 23, 4257 (2009). http://doi.org/10.1142/S0217979209063419
Abstract: We study the effect of electron confinement on the superconducting-to-normal phase transition driven by a magnetic field and/or on the current-carrying state of the superconducting condensate in nanowires. Our investigation is based on a self-consistent numerical solution of the Bogoliubov-de Gennes equations. We show that in a parallel magnetic field and/or in the presence of supercurrent the transition from superconducting to normal phase occurs as a cascade of discontinuous jumps in the superconducting order parameter for diameters D < 10 divided by 15 nm at T = 0. The critical magnetic field exhibits quantum-size oscillations with pronounced resonant enhancements.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Impact Factor: 0.736
Times cited: 1
DOI: 10.1142/S0217979209063419
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“First-principles study of defects at Σ3 grain boundaries in CuGaSe2”. Saniz R, Bekaert J, Partoens B, Lamoen D, Solid State Communications , 114263 (2021). http://doi.org/10.1016/j.ssc.2021.114263
Abstract: We present a first-principles computational study of cation–Se 3 (112) grain boundaries in CuGaSe. We discuss the structure of these grain boundaries, as well as the effect of native defects and Na impurities on their electronic properties. The formation energies show that the defects will tend to form preferentially at the grain boundaries, rather than in the grain interiors. We find that in Ga-rich growth conditions Cu vacancies as well as Ga at Cu and Cu at Ga antisites are mainly responsible for having the equilibrium Fermi level pinned toward the middle of the gap, resulting in carrier depletion. The Na at Cu impurity in its +1 charge state contributes to this. In Ga-poor growth conditions, on the other hand, the formation energies of Cu vacancies and Ga at Cu antisites are comparatively too high for any significant influence on carrier density or on the equilibrium Fermi level position. Thus, under these conditions, the Cu at Ga antisites give rise to a -type grain boundary. Also, their formation energy is lower than the formation energy of Na at Cu impurities. Thus, the latter will fail to act as a hole barrier preventing recombination at the grain boundary, in contrast to what occurs in CuInSe grain boundaries. We also discuss the effect of the defects on the electronic properties of bulk CuGaSe, which we assume reflect the properties of the grain interiors.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Impact Factor: 1.554
Times cited: 1
DOI: 10.1016/j.ssc.2021.114263
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“Measurement of specimen thickness by phase change determination in TEM”. Croitoru MD, van Dyck D, Liu YZ, Zhang Z, Ultramicroscopy 108, 1616 (2008). http://doi.org/10.1016/j.ultramic.2008.06.002
Abstract: A non-destructive method for measuring the thickness of thin amorphous films composed of light elements has been developed. The method employs the statistics of the phase of the electron exit wave function. The accuracy of this method has been checked numerically by the multislice method and compared with that based on the mean inner potential.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 2
DOI: 10.1016/j.ultramic.2008.06.002
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