“Role of carbon and nitrogen in Fe2C and Fe2N from first-principles calculations”. Fang CM, van Huis MA, Jansen J, Zandbergen HW, Physical review : B : condensed matter and materials physics 84, 094102 (2011). http://doi.org/10.1103/PhysRevB.84.094102
Abstract: Although Fe2C and Fe2N are technologically important materials, the exact nature of the chemical bonding of C and N atoms and the related impact on the electronic properties are at present unclear. Here, results of first-principles electronic structure calculations for Fe2X (X = C, N) phases are presented. The electronic structure calculations show that the roles of N and C in iron nitrides and carbides are comparable, and that the X-X interactions have significant impact on electronic properties. Accurate analysis of the spatially resolved differences in electron densities reveals a subtle distinction between the chemical bonding and charge transfer of N and C ions.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 24
DOI: 10.1103/PhysRevB.84.094102
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“Stability and crystal structures of iron carbides : a comparison between the semi-empirical modified embedded atom method and quantum-mechanical DFT calculations”. Fang CM, van Huis MA, Thijsse BJ, Zandbergen HW, Physical review : B : condensed matter and materials physics 85, 054116 (2012). http://doi.org/10.1103/PhysRevB.85.054116
Abstract: Iron carbides play a crucial role in steel manufacturing and processing and to a large extent determine the physical properties of steel products. The modified embedded atom method (MEAM) in combination with Lee's Fe-C potential is a good candidate for molecular dynamics simulations on larger Fe-C systems. Here, we investigate the stability and crystal structures of pure iron and binary iron carbides using MEAM and compare them with the experimental data and quantum-mechanical density functional theory calculations. The analysis shows that the Fe-C potential gives reasonable results for the relative stability of iron and iron carbides. The performance of MEAM for the prediction of the potential energy and the calculated lattice parameters at elevated temperature for pure iron phases and cementite are investigated as well. The conclusion is that Lee's MEAM Fe-C potential provides a promising basis for further molecular dynamics simulations of Fe-C alloys and steels at lower temperatures (up to 800 K).
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 18
DOI: 10.1103/PhysRevB.85.054116
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“Polaron effects in electron channels on a helium film”. Farias GA, Costa Filho RN, Peeters FM, Studart N, Physical review : B : condensed matter and materials physics 64, 104301 (2001). http://doi.org/10.1103/PhysRevB.64.104301
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 2
DOI: 10.1103/PhysRevB.64.104301
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“Acoustical polarons and bipolarons in two dimensions”. Farias GA, da Costa WB, Peeters FM, Physical review : B : condensed matter and materials physics 54, 12835 (1996). http://doi.org/10.1103/PhysRevB.54.12835
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 30
DOI: 10.1103/PhysRevB.54.12835
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“Polaron impurity states on a liquid helium film”. Farias GA, Peeters FM, Physical review : B : condensed matter and materials physics 55, 3763 (1997)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 8
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“In situ HREM irradiation study of point-defect clustering in MBE-grown strained Si1-xGex/(001)Si structures”. Fedina L, Lebedev OI, Van Tendeloo G, van Landuyt J, Mironov OA, Parker EHC, Physical review : B : condensed matter and materials physics 61, 10336 (2000). http://doi.org/10.1103/PhysRevB.61.10336
Abstract: We present a detailed analysis of the point-defect clustering in strained Si/Si(1-x)Ge(x)/(001)Si structures, including the interaction of the point defects with the strained interfaces and the sample surface during 400 kV electron irradiation at room temperature. Point-defect cluster formation is very sensitive to the type and magnitude of the strain in the Si and Si(1-x)Ge(x) layers. A small compressive strain (-0.3%) in the SiGe alloy causes an aggregation of vacancies in the form of metastable [110]-oriented chains. They are located on {113} planes and further recombine with interstitials. Tensile strain in the Si layer causes an aggregation of interstitial atoms in the forms of additional [110] rows which are inserted on {113} planes with [001]-split configurations. The chainlike configurations are characterized by a large outward lattice relaxation for interstitial rows (0.13 +/-0.01 nm) and a very small inward relaxation for vacancy chains (0.02+/-0.01 nm). A compressive strain higher than -0.5% strongly decreases point-defect generation inside the strained SiGe alloy due to the large positive value of the formation volume of a Frenkel pair. This leads to the suppression of point-defect clustering in a strained SiGe alloy so that SiGe relaxes via a diffusion of vacancies from the Si layer, giving rise to an intermixing at the Si/SiGe interface. In material with a 0.9% misfit a strongly increased flow of vacancies from the Si layer to the SiGe layer and an increased biaxial strain in SiGe bath promote the preferential aggregation of vacancies in the (001) plane, which relaxes to form intrinsic 60 degrees dislocation loops.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 27
DOI: 10.1103/PhysRevB.61.10336
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“Structural and dynamical properties of a quasi-one-dimensional classical binary system”. Ferreira WP, Carvalho JCN, Oliveira PWS, Farias GA, Peeters FM, Physical review : B : condensed matter and materials physics 77, 014112 (2008). http://doi.org/10.1103/PhysRevB.77.014112
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 20
DOI: 10.1103/PhysRevB.77.014112
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“Influence of well-width fluctuations on the binding energy of excitons, charged excitons, and biexcitons in GaAs-based quantum wells”. Filinov AV, Riva C, Peeters FM, Lozovik YE, Bonitz M, Physical review : B : condensed matter and materials physics 70, 035323 (2004). http://doi.org/10.1103/PhysRevB.70.035323
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 77
DOI: 10.1103/PhysRevB.70.035323
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“Dynamics of molecular nanomagnets in time-dependent external magnetic fields: beyond the Landau-Zener-Stückelberg model”. Földi P, Benedict MG, Milton Pereira J, Peeters FM, Physical review : B : condensed matter and materials physics 75, 104430 (2007). http://doi.org/10.1103/PhysRevB.75.104430
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 17
DOI: 10.1103/PhysRevB.75.104430
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“Quantum rings as electron spin beam splitters”. Földi P, Kálmán O, Benedict MG, Peeters FM, Physical review : B : condensed matter and materials physics 73, 155325 (2006). http://doi.org/10.1103/PhysRevB.73.155325
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 145
DOI: 10.1103/PhysRevB.73.155325
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“Spintronic single-qubit gate based on a quantum ring with spin-orbit interaction”. Földi P, Molnár B, Benedict MG, Peeters FM, Physical review : B : condensed matter and materials physics 71, 033309 (2005). http://doi.org/10.1103/PhysRevB.71.033309
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 126
DOI: 10.1103/PhysRevB.71.033309
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“High-temperature conductance of a two-dimensional superlattice controlled by spin-orbit interaction”. Földi P, Szaszkó-Bogár V, Peeters FM, Physical review : B : condensed matter and materials physics 83, 115313 (2011). http://doi.org/10.1103/PhysRevB.83.115313
Abstract: Rashba-type spin-orbit interaction (SOI) controlled band structure of a two-dimensional superlattice allows for the modulation of the conductance of finite size devices by changing the strength of the SOI. We consider rectangular arrays and find that the temperature dependence of the conductance disappears for high temperatures, but the strength of the SOI still affects the conductance at these temperatures. The modulation effect can be seen even in the presence of strong dephasing, which can be important for practical applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 8
DOI: 10.1103/PhysRevB.83.115313
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“Spin-orbit interaction controlled properties of two-dimensional superlattices”. Földi P, Szaszkó-Bogár V, Peeters FM, Physical review : B : condensed matter and materials physics 82, 115302 (2010). http://doi.org/10.1103/PhysRevB.82.115302
Abstract: The band structure of two-dimensional artificial superlattices in the presence of (Rashba-type) spin-orbit interaction (SOI) is presented. The position and shape of the energy bands in these spintronic crystals depend on the geometry as well as the strength of the SOI, which can be tuned by external gate voltages. For finite mesoscopic arrays, we show that their conductance properties and possible applications can be understood from these spin-dependent band diagrams.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 6
DOI: 10.1103/PhysRevB.82.115302
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“Confinement of two-dimensional excitons in a non-homogeneous magnetic field”. Freire JAK, Matulis A, Peeters FM, Freire VN, Farias GA, Physical review : B : condensed matter and materials physics 61, 2895 (2000). http://doi.org/10.1103/PhysRevB.61.2895
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 22
DOI: 10.1103/PhysRevB.61.2895
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“Fine structure of excitons in a quantum well in the presence of a non-homogeneous magnetic field”. Freire JAK, Matulis A, Peeters FM, Freire VN, Farias GA, Physical review : B : condensed matter and materials physics 62, 7316 (2000). http://doi.org/10.1103/PhysRevB.62.7316
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 14
DOI: 10.1103/PhysRevB.62.7316
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“Structural transitions in vertically and horizontally coupled parabolic channels of Wigner crystals”. Galván Moya JE, Nelissen K, Peeters FM, Physical review : B : condensed matter and materials physics 86, 184102 (2012). http://doi.org/10.1103/PhysRevB.86.184102
Abstract: Structural phase transitions in two vertically or horizontally coupled channels of strongly interacting particles are investigated. The particles are free to move in the x direction but are confined by a parabolic potential in the y direction. They interact with each other through a screened power-law potential (r(-n)e(-r/lambda)). In vertically coupled systems, the channels are stacked above each other in the direction perpendicular to the (x, y) plane, while in horizontally coupled systems both channels are aligned in the confinement direction. Using Monte Carlo (MC) simulations we obtain the ground-state configurations and the structural transitions as a function of the linear particle density and the separation between the channels. At zero temperature, the vertically coupled system exhibits a rich phase diagram with continuous and discontinuous transitions. On the other hand, the horizontally coupled system exhibits only a very limited number of phase transitions due to its symmetry. Further, we calculated the normal modes for the Wigner crystals in both cases. From MC simulations, we found that in the case of vertically coupled systems, the zigzag transition is only possible for low densities. A Ginzburg-Landau theory for the zigzag transition is presented, which predicts correctly the behavior of this transition from which we interpret the structural phase transition of the Wigner crystal through the reduction of the Brillouin zone.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 6
DOI: 10.1103/PhysRevB.86.184102
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“Ginzburg-Landau theory of the zigzag transition in quasi-one-dimensional classical Wigner crystals”. Galván Moya JE, Peeters FM, Physical review : B : condensed matter and materials physics 84, 134106 (2011). http://doi.org/10.1103/PhysRevB.84.134106
Abstract: We present a mean-field description of the zigzag phase transition of a quasi-one-dimensional system of strongly interacting particles, with interaction potential r−ne−r/λ, that are confined by a power-law potential (yα). The parameters of the resulting one-dimensional Ginzburg-Landau theory are determined analytically for different values of α and n. Close to the transition point for the zigzag phase transition, the scaling behavior of the order parameter is determined. For α=2, the zigzag transition from a single to a double chain is of second order, while for α>2, the one-chain configuration is always unstable and, for α<2, the one-chain ordered state becomes unstable at a certain critical density, resulting in jumps of single particles out of the chain.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 16
DOI: 10.1103/PhysRevB.84.134106
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“Generic ordering of structural transitions in quasi-one-dimensional Wigner crystals”. Galvan-Moya JE, Misko VR, Peeters FM, Physical review : B : condensed matter and materials physics 90, 094111 (2014). http://doi.org/10.1103/PhysRevB.90.094111
Abstract: We investigate the dependence of the structural phase transitions in an infinite quasi-one-dimensional system of repulsively interacting particles on the profile of the confining channel. Three different functional expressions for the confinement potential related to real experimental systems are used that can be tuned continuously from a parabolic to a hard-wall potential in order to find a thorough understanding of the ordering of the chainlike structure transitions. We resolve the long-standing issue why the most theories predicted a 1-2-4-3-4 sequence of chain configurations with increasing density, while some experiments found the 1-2-3-4 sequence.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 9
DOI: 10.1103/PhysRevB.90.094111
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“Chainlike transitions in Wigner crystals : sequential versus nonsequential”. Galvan-Moya, Misko VR, Peeters FM, Physical review : B : condensed matter and materials physics 92, 064112 (2015). http://doi.org/10.1103/PhysRevB.92.064112
Abstract: The structural transitions of the ground state of a system of repulsively interacting particles confined in a quasi-one-dimensional channel, and the effect of the interparticle interaction as well as the functional form of the confinement potential on those transitions are investigated. Although the nonsequential ordering of transitions (non-SOT), i.e., the 1 – 2 – 4 – 3 – 4 – 5 – 6 – ... sequence of chain configurations with increasing density, is widely robust as predicted in a number of theoretical studies, the sequential ordering of transitions (SOT), i.e., the 1 – 2 – 3 – 4 – 5 – 6 – ... chain, is found as the ground state for long-ranged interparticle interaction and hard-wall-like confinement potentials. We found an energy barrier between every two different phases around its transition point, which plays an important role in the preference of the system to follow either a SOT or a non-SOT. However, that preferential transition requires also the stability of the phases during the transition. Additionally, we analyze the effect of a small structural disorder on the transition between the two phases around its transition point. Our results show that a small deformation of the triangular structure changes dramatically the picture of the transition between two phases, removing in a considerable region the non-SOT in the system. This feature could explain the fact that the non-SOT is, up to now, not observed in experimental systems, and suggests a more advanced experimental setup to detect the non-SOT.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 3
DOI: 10.1103/PhysRevB.92.064112
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“Adatoms and Anderson localization in graphene”. García JH, Uchoa B, Covaci L, Rappoport TG, Physical review : B : condensed matter and materials physics 90, 085425 (2014). http://doi.org/10.1103/PhysRevB.90.085425
Abstract: We address the nature of the disordered state that results from the adsorption of adatoms in graphene. For adatoms that sit at the center of the honeycomb plaquette, as in the case of most transition metals, we show that the ones that form a zero-energy resonant state lead to Anderson localization in the vicinity of the Dirac point. Among those, we show that there is a symmetry class of adatoms where Anderson localization is suppressed, leading to an exotic metallic state with large and rare charge droplets, that localizes only at the Dirac point. We identify the experimental conditions for the observation of the Anderson transition for adatoms in graphene.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 12
DOI: 10.1103/PhysRevB.90.085425
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“Surface passivation of CIGS solar cells using gallium oxide”. Garud S, Gampa N, Allen TG, Kotipalli R, Flandre D, Batuk M, Hadermann J, Meuris M, Poortmans J, Smets A, Vermang B, Physica status solidi : A : applications and materials science 215, 1700826 (2018). http://doi.org/10.1002/PSSA.201700826
Abstract: This work proposes gallium oxide grown by plasma-enhanced atomic layer deposition, as a surface passivation material at the CdS buffer interface of Cu(In,Ga)Se-2 (CIGS) solar cells. In preliminary experiments, a metal-insulator-semiconductor (MIS) structure is used to compare aluminium oxide, gallium oxide, and hafnium oxide as passivation layers at the CIGS-CdS interface. The findings suggest that gallium oxide on CIGS may show a density of positive charges and qualitatively, the least interface trap density. Subsequent solar cell results with an estimated 0.5nm passivation layer show an substantial absolute improvement of 56mV in open-circuit voltage (V-OC), 1mAcm(-2) in short-circuit current density (J(SC)), and 2.6% in overall efficiency as compared to a reference (with the reference showing 8.5% under AM 1.5G).
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.775
Times cited: 8
DOI: 10.1002/PSSA.201700826
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“Composite fermions in tilded magnetic fields and the effect of the confining potential width on the composite fermion effective mass”. Gee PJ, Peeters FM, Singleton J, Uji S, Aoki H, Foxon CTB, Harris JJ, Physical review : B : condensed matter and materials physics 54, R14313 (1996)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 15
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“Interface controlled electronic variations in correlated heterostructures”. Gehrke K, Moshnyaga V, Samwer K, Lebedev OI, Verbeeck J, Kirilenko D, Van Tendeloo G, Physical review : B : condensed matter and materials physics 82, 113101 (2010). http://doi.org/10.1103/PhysRevB.82.113101
Abstract: An interface modification of (LaCa)MnO3-BaTiO3 superlattices was found to massively influence magnetic and magnetotransport properties. Moreover it determines the crystal structure of the manganite layers, changing it from orthorhombic (Pnma) for the conventional superlattice (cSL), to rhombohedral (R3̅ c) for the modified one (mSL). While the cSL shows extremely nonlinear ac transport, the mSL is an electrically homogeneous material. The observations go beyond an oversimplified picture of dead interface layers and evidence the importance of electronic correlations at perovskite interfaces.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 9
DOI: 10.1103/PhysRevB.82.113101
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“Enhanced stability of vortex-antivortex states in two-component mesoscopic superconductors”. Geurts R, Milošević, MV, Albino Aguiar J, Peeters FM, Physical review : B : condensed matter and materials physics 87, 024501 (2013). http://doi.org/10.1103/PhysRevB.87.024501
Abstract: Using the Ginzburg-Landau (GL) theory, we calculate the stability of sample symmetry-induced vortex-antivortex molecules in a mesoscopic superconducting bilayer exposed to a homogeneous magnetic field. We demonstrate the conditions under which the two condensates cooperatively broaden the field-temperature stability range of the composite (joint) vortex-antivortex state. In cases when such broadening is not achieved, a reentrance of the vortex-antivortex state is found at lower temperatures. In a large portion of the phase diagram noncomposite states are possible, in which the antivortex is present in only one of the layers. In this case, we demonstrate that the vortex-antivortex molecule in one of the layers can be pinned and enlarged by interaction with a vortex molecule in the other. Using analogies in the respective GL formalisms, we map our findings for the bilayer onto mesoscopic two-band superconductors.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 25
DOI: 10.1103/PhysRevB.87.024501
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“Stabilization of vortex-antivortex configurations in mesoscopic superconductors by engineered pinning”. Geurts R, Milošević, MV, Peeters FM, Physical review : B : condensed matter and materials physics 75, 184511 (2007). http://doi.org/10.1103/PhysRevB.75.184511
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 22
DOI: 10.1103/PhysRevB.75.184511
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“Vortex matter in mesoscopic two-gap superconducting disks: influence of Josephson and magnetic coupling”. Geurts R, Milošević, MV, Peeters FM, Physical review : B : condensed matter and materials physics 81, 15 (2010). http://doi.org/10.1103/PhysRevB.81.214514
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 89
DOI: 10.1103/PhysRevB.81.214514
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“Particle layering in the ceramic-metal thin film Pt-Al2O3”. Gibaud A, Hazra S, Sella C, Laffez P, Désert A, Naudon A, Van Tendeloo G, Physical review : B : condensed matter and materials physics 63, 193407 (2001). http://doi.org/10.1103/PhysRevB.63.193407
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 25
DOI: 10.1103/PhysRevB.63.193407
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“Influence of magnet size on magnetically engineered field-induced superconductivity”. Gillijns W, Milošević, MV, Silhanek AV, Moshchalkov VV, Peeters FM, Physical review : B : condensed matter and materials physics 76, 184516 (2007). http://doi.org/10.1103/PhysRevB.76.184516
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 21
DOI: 10.1103/PhysRevB.76.184516
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“Vortex states in mesoscopic three-band superconductors”. Gillis S, Jaykka J, Milošević, MV, Physical review : B : condensed matter and materials physics 89, 024512 (2014). http://doi.org/10.1103/PHYSREVB.89.024512
Abstract: Using multicomponent Ginzburg-Landau simulations, we show a plethora of vortex states possible in mesoscopic three-band superconductors. We find that mesoscopic confinement stabilizes chiral states, with nontrivial phase differences between the band condensates, as the ground state of the system. As a consequence, we report the broken-symmetry vortex states, the chiral states where vortex cores in different band condensates do not coincide (split-core vortices), as well as fractional-flux vortex states with broken time-reversal symmetry.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 26
DOI: 10.1103/PHYSREVB.89.024512
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“Spin-current generation from Coulomb-Rashba interaction in semiconductor bilayers”. Glazov MM, Semina MA, Badalyan SM, Vignale G, Physical review : B : condensed matter and materials physics 84, 033305 (2011). http://doi.org/10.1103/PhysRevB.84.033305
Abstract: Electrons in double-layer semiconductor heterostructures experience a special type of spin-orbit interaction that arises in each layer from the perpendicular component of the Coulomb electric field created by electron-density fluctuations in the other layer. We show that this interaction, acting in combination with the usual spin-orbit interaction, can generate a spin current in one layer when a charge current is driven in the other. This effect is distinct symmetrywise from the spin-Hall drag. The spin current is not, in general, perpendicular to the drive current.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 5
DOI: 10.1103/PhysRevB.84.033305
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