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“Temporary cooling of quasiparticles and delay in voltage response of superconducting bridges after abruptly switching on the supercritical current”. Vodolazov DY, Peeters FM, Physical review : B : condensed matter and materials physics 90, 094504 (2014). http://doi.org/10.1103/PhysRevB.90.094504
Abstract: We revisit the problem of the dynamic response of a superconducting bridge after abruptly switching on the supercritical current. In contrast to previous theoretical works we take into account spatial gradients and use both the local temperature approach and the kinetic equation for the distribution function of quasiparticles. We find that the temperature dependence of the finite delay time t(d) in the voltage response is model dependent and relatively large t(d) is connected with temporary cooling of quasiparticles during decay of superconducting order parameter vertical bar Delta vertical bar in time. It turns out that the presence of even small inhomogeneities in the bridge or finite length of the homogenous bridge favors a local suppression of vertical bar Delta vertical bar during the dynamic response. It results in a decrease of the delay time, in comparison with the spatially uniform model, due to the diffusion of nonequilibrium quasiparticles from the region with locally suppressed vertical bar Delta vertical bar. In the case when the current density is maximal near the edge of a not very wide bridge the delay time is mainly connected with the time needed for the nucleation (entrance) of the first vortex and t(d) could be tuned by a weak external magnetic field. We also find that a short alternating current pulse (sinusoidlike) with zero time average may result in a nonzero time- averaged voltage response where its sign depends on the phase of the ac current.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 2
DOI: 10.1103/PhysRevB.90.094504
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“Terahertz absorption window in bilayer graphene”. Dong HM, Qin H, Zhang J, Peeters FM, Xu W Ieee, New York, N.Y., page 247 (2009).
Abstract: We present a detailed theoretical study of terahertz (THz) optical absorption in bilayer graphene. Considering an air/graphene/dielectric-wafer system, we find that there is an absorption window in the range 3 similar to 30 THz. Such an absorption window is induced by different transition energies required for inter- and intra-band optical absorption in the presence of the Pauli blockade effect. As a result, the position and width of this THz absorption window depend sensitively on temperature and carrier density of the system. These results are pertinent to the applications of recently developed graphene systems as novel optoelectronic devices such as THz photo-detectors.
Keywords: H1 Book chapter; Condensed Matter Theory (CMT)
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“Terahertz plasmon-polariton modes in graphene driven by electric field inside a Fabry-Perot cavity”. Zhao CX, Xu W, Li LL, Zhang C, Peeters FM, Journal of applied physics 117, 223104 (2015). http://doi.org/10.1063/1.4922401
Abstract: We present a theoretical study on plasmon-polariton modes in graphene placed inside an optical cavity and driven by a source-to-drain electric field. The electron velocity and electron temperature are determined by solving self-consistently the momentum-and energy-balance equations in which electron interactions with impurities, acoustic-, and optic-phonons are included. Based on many-body self-consistent field theory, we develop a tractable approach to study plasmon-polariton in an electron gas system. We find that when graphene is placed inside a Fabry-Perot cavity, two branches of the plasmon-polariton modes can be observed and these modes are very much optic-or plasmon-like. The frequencies of these modes depend markedly on driving electric field especially at higher resonant frequency regime. Moreover, the plasmon-polariton frequency in graphene is in terahertz (THz) bandwidth and can be tuned by changing the cavity length, gate voltage, and driving electric field. This work is pertinent to the application of graphene-based structures as tunable THz plasmonic devices. (C) 2015 AIP Publishing LLC.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 13
DOI: 10.1063/1.4922401
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“Terahertz radiation from crystals of nanomagnets”. Benedict MG, Földi P, Peeters FM, Journal of physics : conference series 36, 12 (2006). http://doi.org/10.1088/1742-6596/36/1/003
Abstract: Certain crystals, consisting of molecules with unusually large spin, exhibit macroscopically observable signatures of quantum tunneling, when a slowly varying external magnetic field is applied parallel to the easy axis of the crystal. Recently it has been observed that jumps in the magnetization are sometimes accompanied by the emission of infrared radiation. We discuss the connection of the tunneling with the electromagnetic transition, and we address the questions: to what extent can the radiation be considered as a collective, superradiant emission, and what is the role played by the cavity in the experiments? Our conclusion is that among the reported experimental coditions the radiation is not superradidance, but rather a maserlike effect.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
Times cited: 1
DOI: 10.1088/1742-6596/36/1/003
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“D- centers probed by resonant tunneling spectroscopy”. Lok JGS, Geim AK, Maan JC, Marmorkos I, Peeters FM, Mori N, Eaves L, Forster TJ, Main PC, Sakai JW, Henini M, Physical review : B : condensed matter and materials physics 53, 9554 (1996)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 40
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“D- shallow donor near a semiconductor-metal and a semiconductor-dielectric interface”. Hao YL, Djotyan AP, Avetisyan AA, Peeters FM, Journal of physics : condensed matter 23, 115303 (2011). http://doi.org/10.1088/0953-8984/23/11/115303
Abstract: The ground state energy and the extent of the wavefunction of a negatively charged donor (D − ) located near a semiconductormetal or a semiconductordielectric interface are obtained. We apply the effective mass approximation and use a variational two-electron wavefunction that takes into account the influence of all image charges that arise due to the presence of the interface, as well as the correlation between the two electrons bound to the donor. For a semiconductormetal interface, the D − binding energy is enhanced for donor positions d > 1.5aB (aB is the effective Bohr radius) due to the additional attraction of the electrons with their images. When the donor approaches the interface (i.e. d < 1.5aB) the D − binding energy drops and eventually it becomes unbound. For a semiconductordielectric (or a semiconductorvacuum) interface the D − binding energy is reduced for any donor position as compared to the bulk case and the system becomes rapidly unbound when the donor approaches the interface.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 5
DOI: 10.1088/0953-8984/23/11/115303
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“D- states in GaAs/AlxGa1-xAs superlattices in a magnetic field”. Shi JM, Peeters FM, Devreese JT, Physical review : B : condensed matter and materials physics 51, 7714 (1995). http://doi.org/10.1103/PhysRevB.51.7714
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 3.736
Times cited: 76
DOI: 10.1103/PhysRevB.51.7714
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“The breakdown of Kohn's theorem in few-electron parabolic quantum dots doped with a single magnetic impurity Mn2+”. Nguyen NTT, Peeters FM, Journal of physics : conference series
T2 –, Conference on Quantum Dots 2010 (QD2010), APR 26-30, 2010, Nottingham, ENGLAND , 012031 (2010). http://doi.org/10.1088/1742-6596/245/1/012031
Abstract: The cyclotron resonance (CR) absorption spectrum is calculated for a II-VI parabolic quantum dot (QD) containing few electrons and a single magnetic dopant (Mn(2+)). We find that Kohn's theorem no longer holds for this system and that the CR spectrum depends on the number of electrons inside the QD. The electron-Mn-ion interaction strength can be tuned for example by the magnetic field and by moving the Mn-ion to different positions inside the QD. We demonstrate that due to the presence of the Mn-ion the relative motion of the electrons couple with their center-of-mass motion through the electron-Mn-ion spin-spin exchange term resulting in an electron-electron interaction dependence of the magneto-optical absorption spectrum. At the ferromagnetic-antiferromagnetic transition we observe significant discontinuities in the CR lines.
Keywords: P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Times cited: 1
DOI: 10.1088/1742-6596/245/1/012031
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“The effect of surface defects on the vortex expulsion and penetration in mesoscopic superconducting disks”. Baelus BJ, Peeters FM, Physica: C : superconductivity
T2 –, 7th International Conference on Materials and Mechanisms of, Superconductive and High Temperature Superconductors, MAY 25-30, 2003, Rio de Janeiro, BRAZIL 408, 543 (2004). http://doi.org/10.1016/j.physc.2004.03.206
Abstract: Within the framework of the nonlinear Ginzburg-Landau theory we investigate how the vortex expulsion and penetration fields are influenced by the presence of surface defects in superconducting disks with zero thickness. We studied different types and sizes of defects. (C) 2004 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.404
Times cited: 1
DOI: 10.1016/j.physc.2004.03.206
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“The electric field as a novel switch for uptake/release of hydrogen for storage in nitrogen doped graphene”. Ao ZM, Hernández-Nieves AD, Peeters FM, Li S, Physical chemistry, chemical physics 14, 1463 (2012). http://doi.org/10.1039/c1cp23153g
Abstract: Nitrogen-doped graphene was recently synthesized and was reported to be a catalyst for hydrogen dissociative adsorption under a perpendicular applied electric field (F). In this work, the diffusion of H atoms on N-doped graphene, in the presence and absence of an applied perpendicular electric field, is studied using density functional theory. We demonstrate that the applied field can significantly facilitate the binding of hydrogen molecules on N-doped graphene through dissociative adsorption and diffusion on the surface. By removing the applied field the absorbed H atoms can be released efficiently. Our theoretical calculation indicates that N-doped graphene is a promising hydrogen storage material with reversible hydrogen adsorption/desorption where the applied electric field can act as a switch for the uptake/release processes.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 4.123
Times cited: 67
DOI: 10.1039/c1cp23153g
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“The ground states of the two-component order parameter superconductor”. Doria MM, de Romaguera ARC, Peeters FM, Europhysics letters 92, 17004 (2010). http://doi.org/10.1209/0295-5075/92/17004
Abstract: We show that in presence of an applied external field the two-component order parameter superconductor falls in two categories of ground states, namely, in the traditional Abrikosov ground state or in a new ground state fitted to describe a superconducting layer with texture, that is, patched regions separated by a phase difference of pi. The existence of these two kinds of ground states follows from the sole assumption that the total supercurrent is the sum of the two individual supercurrents and is independent of any consideration about the free energy expansion. Uniquely defined relations between the current density and the superfluid density hold for these two ground states, which also determine the magnetization in terms of average values of the order parameters. Because these ground-state conditions are also Bogomolny equations we construct the free energy for the two-component superconductor which admits the Bogomolny solution at a special coupling value. Copyright (C) EPLA, 2010
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.957
Times cited: 8
DOI: 10.1209/0295-5075/92/17004
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“The healing lengths in two-band superconductors in extended Ginzburg-Landau theory”. Komendová, L, Shanenko AA, Milošević, MV, Peeters FM, Physica: C : superconductivity 479, 126 (2012). http://doi.org/10.1016/j.physc.2011.12.017
Abstract: We study the vortex profiles in two-gap superconductors using the extended Ginzburg-Landau theory. The results shed more light on the disparity between the effective length scales in two bands. We compare the behavior expected from the standard Ginzburg-Landau theory with this new approach, and find good qualitative agreement in the case of LiFeAs. (C) 2011 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.404
Times cited: 1
DOI: 10.1016/j.physc.2011.12.017
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“The pinning effect in a parabolic quantum dot”. Mukhopadhyay S, Peeters FM, Journal of physics : condensed matter 14, 8005 (2002). http://doi.org/10.1088/0953-8984/14/34/319
Abstract: Using improved Wigner-Brillouin perturbation theory we study resonant electron-phonon interaction in a semiconductor quantum dot. We predict pinning of the excited energy levels to the ground state level plus one optical phonon as a function of the strength of the confinement potential. This effect should be observable through optical spectroscopic measurements.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 4
DOI: 10.1088/0953-8984/14/34/319
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“The Split-operator technique for the study of spinorial wavepacket dynamics”. Chaves A, Farias GA, Peeters FM, Ferreira R, Communications in computational physics 17, 850 (2015). http://doi.org/10.4208/cicp.110914.281014a
Abstract: The split-operator technique for wave packet propagation in quantum systems is expanded here to the case of propagatingwave functions describing Schrodinger particles, namely, charge carriers in semiconductor nanostructures within the effective mass approximation, in the presence of Zeeman effect, as well as of Rashba and Dresselhaus spin-orbit interactions. We also demonstrate that simple modifications to the expanded technique allow us to calculate the time evolution of wave packets describing Dirac particles, which are relevant for the study of transport properties in graphene.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.004
Times cited: 24
DOI: 10.4208/cicp.110914.281014a
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“Theoretical investigation of CoSi2/Si1-xGex detectors: influence of a Si tunneling barrier on the electro-optical characteristics”. Chu DP, Peeters FM, Kolodinski S, Roca E, Journal of applied physics 79, 1151 (1996)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.183
Times cited: 3
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“Theoretical study of electronic and optical properties of inverted GaAs/AlxGa1-xAs quantum dots with smoothed interfaces in an external magnetic field”. Mlinar V, Schliwa A, Bimberg D, Peeters FM, Physical review : B : condensed matter and materials physics 75, 205308 (2007). http://doi.org/10.1103/PhysRevB.75.205308
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 14
DOI: 10.1103/PhysRevB.75.205308
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“Theoretical study of electronic transport properties of a graphene-silicene bilayer”. Berdiyorov GR, Bahlouli H, Peeters FM, Journal of applied physics 117, 225101 (2015). http://doi.org/10.1063/1.4921877
Abstract: Electronic transport properties of a graphene-silicene bilayer system are studied using density-functional theory in combination with the nonequilibrium Green's function formalism. Depending on the energy of the electrons, the transmission can be larger in this system as compared to the sum of the transmissions of separated graphene and silicene monolayers. This effect is related to the increased electron density of states in the bilayer sample. At some energies, the electronic states become localized in one of the layers, resulting in the suppression of the electron transmission. The effect of an applied voltage on the transmission becomes more pronounced in the layered sample as compared to graphene due to the larger variation of the electrostatic potential profile. Our findings will be useful when creating hybrid nanoscale devices where enhanced transport properties will be desirable. (C) 2015 AIP Publishing LLC.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 10
DOI: 10.1063/1.4921877
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“Theoretical study of InAs/GaAs quantum dots grown on [11k] substrates in the presence of a magnetic field”. Mlinar V, Peeters FM, Microelectronics journal 37, 1427 (2006). http://doi.org/10.1016/j.mejo.2006.05.018
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.163
DOI: 10.1016/j.mejo.2006.05.018
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“Theoretical study of the stable states of small carbon clusters Cn (n=210)”. Kosimov DP, Dzhurakhalov AA, Peeters FM, Physical review : B : solid state 78, 235433 (2008). http://doi.org/10.1103/PhysRevB.78.235433
Abstract: Both even- and odd-numbered neutral carbon clusters Cn (n=210) are systematically studied using the energy minimization method and the modified Brenner potential for the carbon-carbon interactions. Many stable configurations were found, and several new isomers are predicted. For the lowest energy stable configurations we obtained their binding energies and bond lengths. We found that for n5 the linear isomer is the most stable one while for n>5 the monocyclic isomer becomes the most stable. The latter was found to be regular for all studied clusters. The dependence of the binding energy for linear and cyclic clusters versus the cluster size n (n=210) is found to be in good agreement with several previous calculations, in particular with ab initio calculations as well as with experimental data for n=25.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.836
Times cited: 35
DOI: 10.1103/PhysRevB.78.235433
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“Theory of the band mixing induced negative magnetoresistance in broken gap superlattices”. Symons DM, Peeters FM, Lakrimi M, Khym S, Portal JC, Mason NJ, Nicholas RJ, Walker PJ, Physica. E: Low-dimensional systems and nanostructures 2, 353 (1998). http://doi.org/10.1016/S1386-9477(98)00074-5
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.221
Times cited: 4
DOI: 10.1016/S1386-9477(98)00074-5
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“Theory of the magneto-transport in a nonplanar two dimensional electron gas”. Badalian SM, Ibrahim IS, Peeters FM, , 327 (1997)
Keywords: P3 Proceeding; Condensed Matter Theory (CMT)
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“Theory of trions in quantum wells”. Riva C, Peeters FM, Varga K, Physica. E: Low-dimensional systems and nanostructures
T2 –, 14th International Conference on the Electronic Properties of, Two-Dimensional Systems, JUL 30-AUG 03, 2001, PRAGUE, CZECH REPUBLIC 12, 543 (2002). http://doi.org/10.1016/S1386-9477(01)00484-2
Abstract: We investigate the energy levels of the negatively and positively charged excitons (also called trions) in a 200 Angstrom wide GaAs quantum well in the presence of a perpendicular magnetic field. A comparison is made with the experimental results of Glasberg et al. (Phys. Rev. B. 59 (1999) R10 425) and of Yusa et al. (cond-mat/0103505). (C) 2002 Elsevier Science B.V. All rights reserved.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 2.221
Times cited: 2
DOI: 10.1016/S1386-9477(01)00484-2
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“Thermal mirror buckling in freestanding graphene locally controlled by scanning tunnelling microscopy”. Neek-Amal M, Xu P, Schoelz JK, Ackerman ML, Barber SD, Thibado PM, Sadeghi A, Peeters FM, Nature communications 5, 4962 (2014). http://doi.org/10.1038/ncomms5962
Abstract: Knowledge of and control over the curvature of ripples in freestanding graphene are desirable for fabricating and designing flexible electronic devices, and recent progress in these pursuits has been achieved using several advanced techniques such as scanning tunnelling microscopy. The electrostatic forces induced through a bias voltage (or gate voltage) were used to manipulate the interaction of freestanding graphene with a tip (substrate). Such forces can cause large movements and sudden changes in curvature through mirror buckling. Here we explore an alternative mechanism, thermal load, to control the curvature of graphene. We demonstrate thermal mirror buckling of graphene by scanning tunnelling microscopy and large-scale molecular dynamic simulations. The negative thermal expansion coefficient of graphene is an essential ingredient in explaining the observed effects. This new control mechanism represents a fundamental advance in understanding the influence of temperature gradients on the dynamics of freestanding graphene and future applications with electro-thermal-mechanical nanodevices.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 12.124
Times cited: 36
DOI: 10.1038/ncomms5962
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“Thermal properties of fluorinated graphene”. Singh SK, Srinivasan SG, Neek-Amal M, Costamagna S, van Duin ACT, Peeters FM, Physical review : B : condensed matter and materials physics 87, 104114 (2013). http://doi.org/10.1103/PhysRevB.87.104114
Abstract: Large-scale atomistic simulations using the reactive force field approach are implemented to investigate the thermomechanical properties of fluorinated graphene (FG). A set of parameters for the reactive force field potential optimized to reproduce key quantum mechanical properties of relevant carbon-fluorine cluster systems are presented. Molecular dynamics simulations are used to investigate the thermal rippling behavior of FG and its mechanical properties and compare them with graphene, graphane and a sheet of boron nitride. The mean square value of the height fluctuations < h(2)> and the height-height correlation function H(q) for different system sizes and temperatures show that FG is an unrippled system in contrast to the thermal rippling behavior of graphene. The effective Young's modulus of a flake of fluorinated graphene is obtained to be 273 N/m and 250 N/m for a flake of FG under uniaxial strain along armchair and zigzag directions, respectively. DOI: 10.1103/PhysRevB.87.104114
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 80
DOI: 10.1103/PhysRevB.87.104114
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“Thermal rippling behavior of graphane”. Costamagna S, Neek-Amal M, Los JH, Peeters FM, Physical review : B : condensed matter and materials physics 86, 041408 (2012). http://doi.org/10.1103/PhysRevB.86.041408
Abstract: Thermal fluctuations of single layer hydrogenated graphene (graphane) are investigated using large scale atomistic simulations. By analyzing the mean square value of the height fluctuations < h(2)> and the height-height correlation function H(q) for different system sizes and temperatures, we show that hydrogenated graphene is an unrippled system in contrast to graphene. The height fluctuations are bounded, which is confirmed by a H(q) tending to a constant in the long wavelength limit instead of showing the characteristic scaling law q(4-eta)(eta similar or equal to 0.85) predicted by membrane theory. This unexpected behavior persists up to temperatures of at least 900 K and is a consequence of the fact that in graphane the thermal energy can be accommodated by in-plane bending modes, i.e., modes involving C-C-C bond angles in the buckled carbon layer, instead of leading to significant out-of-plane fluctuations that occur in graphene.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 46
DOI: 10.1103/PhysRevB.86.041408
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“Thermodynamic properties of the electron gas in multilayer graphene in the presence of a perpendicular magnetic field”. Van Duppen B, Peeters FM, Physical review : B : condensed matter and materials physics 88, 245429 (2013). http://doi.org/10.1103/PhysRevB.88.245429
Abstract: The thermodynamic properties of the electron gas in multilayer graphene depend strongly on the number of layers and the type of stacking. Here we analyze how those properties change when we vary the number of layers for rhombohedral stacked multilayer graphene and compare our results with those from a conventional two-dimensional electron gas. We show that the highly degenerate zero-energy Landau level which is partly filled with electrons and partly with holes has a strong influence on the values of the different thermodynamic quantities.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 2
DOI: 10.1103/PhysRevB.88.245429
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“Thermomechanical properties of a single hexagonal boron nitride sheet”. Singh SK, Neek-Amal M, Costamagna S, Peeters FM, Physical review : B : condensed matter and materials physics 87, 184106 (2013). http://doi.org/10.1103/PhysRevB.87.184106
Abstract: Using atomistic simulations we investigate the thermodynamical properties of a single atomic layer of hexagonal boron nitride (h-BN). The thermal induced ripples, heat capacity, and thermal lattice expansion of large scale h-BN sheets are determined and compared to those found for graphene (GE) for temperatures up to 1000 K. By analyzing the mean-square height fluctuations < h(2)> and the height-height correlation function H(q) we found that the h-BN sheet is a less stiff material as compared to graphene. The bending rigidity of h-BN (i) is about 16% smaller than the one of GE at room temperature (300 K), and (ii) increases with temperature as in GE. The difference in stiffness between h-BN and GE results in unequal responses to external uniaxial and shear stress and different buckling transitions. In contrast to a GE sheet, the buckling transition of a h-BN sheet depends strongly on the direction of the applied compression. The molar heat capacity, thermal-expansion coefficient, and Gruneisen parameter are estimated to be 25.2 J mol(-1) K-1, 7.2 x 10(-6) K-1, and 0.89, respectively.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 80
DOI: 10.1103/PhysRevB.87.184106
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“Thermomechanical properties of graphene : valence force field model approach”. Lajevardipour A, Neek-Amal M, Peeters FM, Journal of physics : condensed matter 24, 175303 (2012). http://doi.org/10.1088/0953-8984/24/17/175303
Abstract: Using the valence force field model of Perebeinos and Tersoff (2009 Phys. Rev. B 79 241409(R)), different energy modes of suspended graphene subjected to tensile or compressive strain are studied. By carrying out Monte Carlo simulations it is found that: (i) only for small strains (vertical bar epsilon vertical bar (sic) 0.02) is the total energy symmetrical in the strain, while it behaves completely differently beyond this threshold; (ii) the important energy contributions in stretching experiments are stretching, angle bending, an out-of-plane term, and a term that provides repulsion against pi-pi misalignment; (iii) in compressing experiments the two latter terms increase rapidly, and beyond the buckling transition stretching and bending energies are found to be constant; (iv) from stretching-compressing simulations we calculated the Young's modulus at room temperature 350 +/- 3.15 N m(-1), which is in good agreement with experimental results (340 +/- 50 N m(-1)) and with ab initio results (322-353) N m(-1); (v) molar heat capacity is estimated to be 24.64 J mol(-1) K-1 which is comparable with the Dulong-Petit value, i. e. 24.94 J mol(-1) K-1, and is almost independent of the strain; (vi) nonlinear scaling properties are obtained from height-height correlations at finite temperature; (vii) the used valence force field model results in a temperature independent bending modulus for graphene, and (viii) the Gruneisen parameter is estimated to be 0.64.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 29
DOI: 10.1088/0953-8984/24/17/175303
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“A three-dimensional model for artificial atoms and molecules: influence of substrate orientation and magnetic field dependence”. Mlinar V, Peeters FM, Journal of materials chemistry 17, 3687 (2007). http://doi.org/10.1039/b701231d
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Times cited: 7
DOI: 10.1039/b701231d
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“Three electrons in laterally coupled quantum dots: tunnel vs electrostatic coupling, ground-state symmetry, and interdot correlations”. Szafran B, Peeters FM, Physical review : B : condensed matter and materials physics 71, 245314 (2005). http://doi.org/10.1103/PhysRevB.71.245314
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 7
DOI: 10.1103/PhysRevB.71.245314
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