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“Intense-terahertz-laser-modulated magnetopolaron effect on shallow-donor states in the presence of magnetic field in the Voigt configuration”. Wang W, Van Duppen B, Peeters FM, Physical review B 99, 014114 (2019). http://doi.org/10.1103/PHYSREVB.99.014114
Abstract: The laser-modulated magnetopolaron effect on shallow donors in semiconductors is investigated in the presence of a magnetic field in the Voigt configuration. A nonperturbative approach is used to describe the electron-photon interaction by including the radiation field in an exact way via a laser-dressed interaction potential. Through a variational approach we evaluate the donor binding energy. We find that the interaction strength of the laser-dressed Coulomb potential in the z direction cannot only be enhanced but also weakened by the radiation field, while that in the x-y plane is only weakened. In this way, the binding energy of the states with odd z parity, like 2p(z) can be decreased or increased with respect to its static binding energy by the radiation field, while that of the other states can be only decreased. Furthermore, all binding energies become insensitive to the magnetic field if the radiation field is strong. The magnetopolaron effect on these energies is studied within second-order time-dependent perturbation theory. In the nonresonant region, a laser-modulated magnetopolaron correction, including the effect of single-photon processes, is observed. In the resonant region, a laser-modulated magnetopolaron effect, accompanied by the emission and absorption of a single photon, is found. Moreover, the 1s -> 2p(+) transition, accompanied by the emission of a single photon, is tuned by the radiation field into resonance with the longitudinal-optical phonon branch. This is electrically analogous to the magnetopolaron effect, and therefore we name it the dynamical magnetopolaron effect. Finally, by changing the frequency of the radiation field, these interesting effects can be tuned to be far away from the reststrahlen band and, therefore, can be detected experimentally. This in turn provides a direct measure of the electron-phonon interaction.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 6
DOI: 10.1103/PHYSREVB.99.014114
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“Prevalence of oxygen defects in an in-plane anisotropic transition metal dichalcogenide”. Plumadore R, Baskurt M, Boddison-Chouinard J, Lopinski G, Modarresi M, Potasz P, Hawrylak P, Sahin H, Peeters FM, Luican-Mayer A, Physical Review B 102, 205408 (2020). http://doi.org/10.1103/PHYSREVB.102.205408
Abstract: Atomic scale defects in semiconductors enable their technological applications and realization of different quantum states. Using scanning tunneling microscopy and spectroscopy complemented by ab initio calculations we determine the nature of defects in the anisotropic van der Waals layered semiconductor ReS2. We demonstrate the in-plane anisotropy of the lattice by directly visualizing chains of rhenium atoms forming diamond-shaped clusters. Using scanning tunneling spectroscopy we measure the semiconducting gap in the density of states. We reveal the presence of lattice defects and by comparison of their topographic and spectroscopic signatures with ab initio calculations we determine their origin as oxygen atoms absorbed at lattice point defect sites. These results provide an atomic-scale view into the semiconducting transition metal dichalcogenides, paving the way toward understanding and engineering their properties.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.7
Times cited: 6
DOI: 10.1103/PHYSREVB.102.205408
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“Band-gap formation and morphing in alpha-T-3 superlattices”. Cunha SM, de Costa DR, Pereira Jr JM, Costa Filho RN, Van Duppen B, Peeters FM, Physical Review B 104, 115409 (2021). http://doi.org/10.1103/PHYSREVB.104.115409
Abstract: Electrons in alpha-T-3 lattices behave as condensed-matter analogies of integer-spin Dirac fermions. The three atoms making up the unit cell bestow the energy spectrum with an additional energy band that is completely flat, providing unique electronic properties. The interatomic hopping term, alpha, is known to strongly affect the electronic spectrum of the two-dimensional (2D) lattice, allowing it to continuously morph from graphenelike responses to the behavior of fermions in a dice lattice. For pristine lattice structures the energy bands are gapless, but small deviations in the atomic equivalence of the three sublattices will introduce gaps in the spectrum. It is unknown how these affect transport and electronic properties such as the energy spectrum of superlattice minibands. Here we investigate the dependency of these properties on the parameter a accounting for different symmetry-breaking terms, and we show how it affects band-gap formation. Furthermore, we find that superlattices can force band gaps to close and shift in energy. Our results demonstrate that alpha-T-3 superlattices provide a versatile material for 2D band-gap engineering purposes.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 6
DOI: 10.1103/PHYSREVB.104.115409
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“Metamorphosis of discontinuity lines and rectification of magnetic flux avalanches in the presence of noncentrosymmetric pinning forces”. Motta M, Burger L, Jiang L, Acosta JDG, Jelić, ŽL, Colauto F, Ortiz WA, Johansen TH, Milošević, MV, Cirillo C, Attanasio C, Xue C, Silhanek A V, Vanderheyden B, Physical Review B 103, 224514 (2021). http://doi.org/10.1103/PHYSREVB.103.224514
Abstract: Considering a noncentrosymmetric pinning texture composed of a square array of triangular holes, the magnetic flux penetration and expulsion are investigated experimentally and theoretically. A direct visualization of the magnetic landscape obtained using a magneto-optical technique on a Nb film is complemented by a multiscale numerical modeling. This combined approach allows the magnetic flux dynamics to be identified from the single flux quantum limit up to the macroscopic electromagnetic response. Within the theoretical framework provided by time-dependent Ginzburg-Landau simulations, an estimation of the in-plane current anisotropy is obtained and its dependence with the radius of the curvature of hole vertices is addressed. These simulations show that current crowding plays an important role in channeling the flux motion, favoring hole-to-hole flux hopping rather than promoting interstitial flux displacement in between the holes. The resulting anisotropy of the critical current density gives rise to a distinct pattern of discontinuity lines for increasing and decreasing applied magnetic fields, in sharp contrast to the invariable patterns reported for centrosymmetric pinning potentials. This observation is partially accounted for by the rectification effect, as demonstrated by finite-element modeling. At low temperatures, where magnetic field penetration is dominated by thermomagnetic instabilities, highly directional magnetic flux avalanches with a fingerlike shape are observed to propagate along the easy axis of the pinning potential. This morphology is reproduced by numerical simulations. Our findings demonstrate that anisotropic pinning landscapes and, in particular, ratchet potentials produce subtle modifications to the critical state field profile that are reflected in the distribution of discontinuity lines.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 6
DOI: 10.1103/PHYSREVB.103.224514
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“Electrostatically confined trilayer graphene quantum dots”. Mirzakhani M, Zarenia M, Vasilopoulos P, Peeters FM, Physical review B 95, 155434 (2017). http://doi.org/10.1103/PHYSREVB.95.155434
Abstract: Electrically gating of trilayer graphene (TLG) opens a band gap offering the possibility to electrically engineer TLG quantum dots. We study the energy levels of such quantum dots and investigate their dependence on a perpendicular magnetic field B and different types of stacking of the graphene layers. The dots are modeled as circular and confined by a truncated parabolic potential which can be realized by nanostructured gates or position-dependent doping. The energy spectra exhibit the intervalley symmetry E-K(e) (m) = -E (h)(K') (m) for the electron (e) and hole (h) states, where m is the angular momentum quantum number and K and K' label the two valleys. The electron and hole spectra for B = 0 are twofold degenerate due to the intervalley symmetry E-K (m) = E-K' [-(m + 1)]. For both ABC [alpha = 1.5 (1.2) for large (small) R] and ABA (alpha = 1) stackings, the lowest-energy levels show approximately a R-alpha dependence on the dot radius R in contrast with the 1/R-3 one for ABC-stacked dots with infinite-mass boundary. As functions of the field B, the oscillator strengths for dipole-allowed transitions differ drastically for the two types of stackings.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Times cited: 6
DOI: 10.1103/PHYSREVB.95.155434
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“Strong three-level resonant magnetopolaron effect due to the intersubband coupling in heavily modulation-doped GaAs/AlxGa1-xAs single quantum wells at high magnetic-fields”. Wang YJ, Leem YA, McCombe BD, Wu XG, Peeters FM, Jones ED, Reno JR, Lee XY, Jiang HW, Physical Review B 64, 161303 (2001). http://doi.org/10.1103/PhysRevB.64.161303
Abstract: Electron cyclotron resonance CR) measurements have been carried out in magnetic fields up to 32 T to study electron-phonon interaction in two heavily modulation-delta -doped GaAs/Al0.3Ga0.7As single-quantum-well samples. No measurable resonant magnetopolaron effects were observed in either sample in the region of the GaAs longitudinal optical (LO) phonons. However, when the CR frequency is above LO phonon frequency, omega (LO)=E-LO/(h) over bar, at high magnetic fields (B>27 T), electron CR exhibits a strong avoided-level-crossing splitting for both samples at frequencies close to (omega (LO)+ (E-2-E-1)1 (h) over bar, where E-2, and E-1 are the energies of the bottoms of the second and the first subbands, respectively. The energy separation between the two branches is large with the minimum separation of 40 cm(-1) occurring at around 30.5 T. A detailed theoretical analysis, which includes a self-consistent calculation of the band structure and the effects of electron-phonon interaction on the CR, shows that this type of splitting is due to a three-level resonance between the second Landau level of the first electron subband and the lowest Landau level of the second subband plus one GaAs LO phonon. The absence of occupation effects in the final states and weak screening or this three-level process yields large energy separation even in the presence of high electron densities. Excellent agreement between the theory and the experimental results is obtained.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 7
DOI: 10.1103/PhysRevB.64.161303
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“Multichiral ground states in mesoscopic p-wave superconductors”. Fernández Becerra V, Milošević, MV, Physical review B 94, 184517 (2016). http://doi.org/10.1103/PHYSREVB.94.184517
Abstract: Using Ginzburg-Landau formalism, we investigate the effect of confinement on the ground state of mesoscopic chiral p-wave superconductors in the absence of magnetic field. We reveal stable multichiral states with domain walls separating the regions with different chiralities, as well as monochiral states with spontaneous currents flowing along the edges. We show that multichiral states can exhibit identifying signatures in the spatial profile of the magnetic field if those are not screened by edge currents in the case of strong confinement. Such magnetic detection of domain walls in topological superconductors can serve as long-sought evidence of broken time-reversal symmetry. Furthermore, when applying electric current to mesoscopic p-wave samples, we found a hysteretic behavior in the current-voltage characteristic that distinguishes states with and without domain walls, thereby providing another useful hallmark for indirect confirmation of chiral p-wave superconductivity.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 7
DOI: 10.1103/PHYSREVB.94.184517
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“Phase transition and spin-resolved transport in MoS2 nanoribbons”. Heshmati-Moulai A, Simchi H, Esmaeilzadeh M, Peeters FM, Physical review B 94, 235424 (2016). http://doi.org/10.1103/PHYSREVB.94.235424
Abstract: The electronic structure and transport properties of monolayer MoS2 are studied using a tight-binding approach coupled with the nonequilibrium Green's function method. A zigzag nanoribbon of MoS2 is conducting due to the intersection of the edge states with the Fermi level that is located within the bulk gap. We show that applying a transverse electric field results in the disappearance of this intersection and turns the material into a semiconductor. By increasing the electric field the band gap undergoes a two stage linear increase after which it decreases and ultimately closes. It is shown that in the presence of a uniform exchange field, this electric field tuning of the gap can be exploited to open low energy domains where only one of the spin states contributes to the electronic conductance. This introduces possibilities in designing spin filters for spintronic applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 7
DOI: 10.1103/PHYSREVB.94.235424
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“Spin-reorientation transitions in the Cairo pentagonal magnet Bi4Fe5O13F”. Tsirlin AA, Rousochatzakis I, Filimonov D, Batuk D, Frontzek M, Abakumov AM, Physical review B 96, 094420 (2017). http://doi.org/10.1103/PhysRevB.96.094420
Abstract: We show that interlayer spins play a dual role in the Cairo pentagonal magnet Bi4Fe5O13F, on one hand mediating the three-dimensional magnetic order, and on the other driving spin-reorientation transitions both within and between the planes. The corresponding sequence of magnetic orders unraveled by neutron diffraction and Mossbauer spectroscopy features two orthogonal magnetic structures described by opposite local vector chiralities, and an intermediate, partly disordered phase with nearly collinear spins. A similar collinear phase has been predicted theoretically to be stabilized by quantum fluctuations, but Bi4Fe5O13F is very far from the relevant parameter regime. While the observed in-plane reorientation cannot be explained by any standard frustration mechanism, our ab initio band-structure calculations reveal strong single-ion anisotropy of the interlayer Fe3+ spins that turns out to be instrumental in controlling the local vector chirality and the associated interlayer order.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 7
DOI: 10.1103/PhysRevB.96.094420
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“Multifaceted impact of a surface step on superconductivity in atomically thin films”. Zhang L-F, Flammia L, Covaci L, Perali A, Milošević, MV, Physical review B 96, 104509 (2017). http://doi.org/10.1103/PHYSREVB.96.104509
Abstract: Recent experiments show that an atomic step on the surface of atomically thin metallic films can strongly affect electronic transport. Here we reveal multiple and versatile effects that such a surface step can have on superconductivity in ultrathin films. By solving the Bogoliubov-de Gennes equations self-consistently in this regime, where quantum confinement dominates the emergent physics, we show that the electronic structure is profoundly modified on the two sides of the step, as is the spatial distribution of the superconducting order parameter and its dependence on temperature and electronic gating. Furthermore, the surface step changes nontrivially the transport properties both in the proximity-induced superconducting pair correlations and the Josephson effect, depending on the step height. These results offer a new route to tailor superconducting circuits and design atomically thin heterojunctions made of one same material.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 7
DOI: 10.1103/PHYSREVB.96.104509
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“Superconducting nanoribbon with a constriction : a quantum-confined Josephson junction”. Flammia L, Zhang L-F, Covaci L, Perali A, Milošević, MV, Physical review B 97, 134514 (2018). http://doi.org/10.1103/PHYSREVB.97.134514
Abstract: Extended defects are known to strongly affect nanoscale superconductors. Here, we report the properties of superconducting nanoribbons with a constriction formed between two adjacent step edges by solving the Bogoliubov-de Gennes equations self-consistently in the regime where quantum confinement is important. Since the quantum resonances of the superconducting gap in the constricted area are different from the rest of the nanoribbon, such constriction forms a quantum-confined S-S'-S Josephson junction, with a broadly tunable performance depending on the length and width of the constriction with respect to the nanoribbon, and possible gating. These findings provide an intriguing approach to further tailor superconducting quantum devices where Josephson effect is of use.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 7
DOI: 10.1103/PHYSREVB.97.134514
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“Skyrmionic chains and lattices in s plus id superconductors”. Zhang L, Zhang Y-Y, Zha G-Q, Milošević, MV, Zhou S-P, Physical Review B 101, 064501 (2020). http://doi.org/10.1103/PHYSREVB.101.064501
Abstract: We report characteristic vortex configurations in s + id superconductors with time-reversal symmetry breaking, exposed to magnetic field. A vortex in the s + id state tends to have an opposite phase winding between s- and d-wave condensates. We find that this peculiar feature together with the competition between s- and d-wave symmetry results in three distinct classes of vortical configurations. When either s or d condensate absolutely dominates, vortices form a conventional lattice. However, when one condensate is relatively dominant, vortices organize in chains that exhibit skyrmionic character, separating the chiral components of the s +/- id order parameter into domains within and outside the chain. Such skyrmionic chains are found stable even at high magnetic field. When s and d condensates have comparable strength, vortices split cores in two chiral components to form full-fledged skyrmions, i.e., coreless topological structures with an integer topological charge, organized in a lattice. We provide characteristic magnetic field distributions of all states, enabling their identification in, e.g., scanning Hall probe and scanning SQUID experiments. These unique vortex states are relevant for high-T-c cuprate and iron-based superconductors, where the relative strength of competing pairing symmetries is expected to be tuned by temperature and/or doping level, and can help distinguish s + is and s + id superconducting phases.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.7
Times cited: 7
DOI: 10.1103/PHYSREVB.101.064501
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“Electrically induced spin resonance fluorescence : 2 : fluorescence spectra”. Nogaret A, Lambert NJ, Peeters FM, Physical Review B 76 (2007). http://doi.org/10.1103/PhysRevB.76.075312
Abstract: We model the fluorescence spectra of planar spin oscillators to find conditions that maximize spin resonance fluorescence. Spin oscillators perform Rabi oscillations under the effect of a periodic effective magnetic field caused by the winding motion of an electron in a gradient of magnetic field. We show that, despite the weak coupling of the spin magnetic dipole to the vacuum, spin oscillators excited by a direct current output a few nanowatts of microwave power, which is comparable to the best microwave sources. The large quantum efficiency relies on the combination of two effects. On the one hand, the spontaneous emission rate is enhanced by the synchronization of spin oscillators, which interact through the microwave field that they emit. On the other hand, the huge Rabi frequencies experienced by spin oscillators promote spins into upper levels of Zeeman transitions, from which a radiative cascade is triggered. We demonstrate different regimes of fluorescence which correspond to different values of the Rabi period relative to the spontaneous decay time and to the oscillator dwell time in the gradient of magnetic field. We investigate the device parameters which make these regimes experimentally accessible and find conditions that optimize microwave output. We find that microwave emission is centered around the cutoff frequency of spin oscillators. This has the advantage that the peak emission frequency may be tuned from zero continuously up to a few hundred gigahertz using an electrostatic gate. Quite remarkably for a spintronics effect, electrically induced spin resonance fluorescence does not require the injection of a spin polarized current. In fact, we show that microwave spectra are mostly independent of the incoming spin polarization except for magnetic waveguides which are shorter than a certain critical length, which we will specify.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 8
DOI: 10.1103/PhysRevB.76.075312
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“Normal and skewed phosphorene nanoribbons in combined magnetic and electric fields”. Arsoski VV, Grujić, MM, Čukarić, NA, Tadic MZ, Peeters FM, Physical review B 96, 125434 (2017). http://doi.org/10.1103/PHYSREVB.96.125434
Abstract: The energy spectrum and eigenstates of single-layer black phosphorus nanoribbons in the presence of a perpendicular magnetic field and an in-plane transverse electric field are investigated by means of a tight-binding method, and the effect of different types of edges is examined analytically. A description based on a continuum model is proposed using an expansion of the tight-binding model in the long-wavelength limit. Thewave functions corresponding to the flatband part of the spectrum are obtained analytically and are shown to agree well with the numerical results from the tight-binding method for both narrow (10 nm) and wide (100 nm) nanoribbons. Analytical expressions for the critical magnetic field at which Landau levels are formed and the ranges of wave numbers in the dispersionless flatband segments in the energy spectra are derived. We examine the evolution of the Landau levels when an in-plane lateral electric field is applied, and we determine analytically how the edge states shift withmagnetic field. For wider nanoribbons, the conductance is shown to have a characteristic staircase shape in combined magnetic and electric fields. Some of the stairs in zigzag and skewed armchair nanoribbons originate from edge states that are found in the band gap.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 8
DOI: 10.1103/PHYSREVB.96.125434
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“Rich many-body phase diagram of electrons and holes in doped monolayer transition metal dichalcogenides”. Van der Donck M, Peeters FM, Physical review B 98, 115432 (2018). http://doi.org/10.1103/PHYSREVB.98.115432
Abstract: We use a variational technique to study the many-body phase diagram of electrons and holes in n-doped and p-doped monolayer transition metal dichalcogenides (TMDs). We find a total of four different phases. (i) A fully spin polarized and valley polarized ferromagnetic state. (ii) A state with no global spin polarization but with spin polarization in each valley separately, i.e., spin-valley locking. (iii) A state with spin polarization in one of the valleys and little to no spin polarization in the other valley. (iv) A paramagnetic state with no valley polarization. These phases are separated by first-order phase transitions and are determined by the particle density and the dielectric constant of the substrate. We find that in the presence of a perpendicular magnetic field the four different phases persist. In the case of n-doped MoS2, a fifth phase, which is completely valley polarized but not spin polarized, appears for magnetic fields larger than 7 T and for magnetic fields larger than 23 T completely replaces the second phase.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 8
DOI: 10.1103/PHYSREVB.98.115432
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“Electrical dipole on gapped graphene : bound states and atomic collapse”. Van Pottelberge R, Van Duppen B, Peeters FM, Physical review B 98, 165420 (2018). http://doi.org/10.1103/PHYSREVB.98.165420
Abstract: We investigate the energy spectrum, wave functions, and local density of states of an electrical dipole placed on a sheet of gapped graphene as function of the charge strength Z alpha for different sizes of the dipole and for different regularization parameters. The dipole is modeled as consisting of a positive and negative charge. Bound states are found within the gap region with some energy levels that anticross and others that cross as function of the impurity strength Z alpha. The anticrossings are more pronounced and move to higher charges Z alpha when the length of the dipole decreases. These energy levels turn into atomic collapse states when they enter the positive (or negative) energy continuum. A smooth transition from the single-impurity behavior to the dipole one is observed: The states diving towards the continuum in the single-impurity case are gradually replaced by a series of anticrossings that represent a continuation of the diving states in the single-impurity case. By studying the local density of states at the edge of the dipole we show how the series of anticrossings persist in the positive and negative continuum.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 8
DOI: 10.1103/PHYSREVB.98.165420
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“Experimental observation of electron-phonon coupling enhancement in Sn nanowires caused by phonon confinement effects”. Lozano DP, Couet S, Petermann C, Hamoir G, Jochum JK, Picot T, Menendez E, Houben K, Joly V, Antohe VA, Hu MY, Leu BM, Alatas A, Said AH, Roelants S, Partoens B, Milošević, MV, Peeters FM, Piraux L, Van de Vondel J, Vantomme A, Temst K, Van Bael MJ, Physical review B 99, 064512 (2019). http://doi.org/10.1103/PHYSREVB.99.064512
Abstract: Reducing the size of a superconductor below its characteristic length scales can either enhance or suppress its critical temperature (T-c). Depending on the bulk value of the electron-phonon coupling strength, electronic and phonon confinement effects will play different roles in the modification of T-c. Experimentally disentangling each contribution has remained a challenge. We have measured both the phonon density of states and T-c of Sn nanowires with diameters of 18, 35, and 100 nm in order to quantify the effects of phonon confinement on superconductivity. We observe a shift of the phonon frequency towards the low-energy region and an increase in the electron-phonon coupling constant that can account for the measured increase in T-c.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 8
DOI: 10.1103/PHYSREVB.99.064512
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“In situ study of the \alpha-Sn to \beta-Sn phase transition in low-dimensional systems : phonon behavior and thermodynamic properties”. Houben K, Jochum JK, Lozano DP, Bisht M, Menendez E, Merkel DG, Ruffer R, Chumakov A I, Roelants S, Partoens B, Milošević, MV, Peeters FM, Couet S, Vantomme A, Temst K, Van Bael MJ, Physical review B 100, 075408 (2019). http://doi.org/10.1103/PHYSREVB.100.075408
Abstract: The densities of phonon states of thin Sn films on InSb substrates are determined during different stages of the alpha-Sn to beta-Sn phase transition using nuclear inelastic x-ray scattering. The vibrational entropy and internal energy per atom as a function of temperature are obtained by numerical integration of the phonon density of states. The free energy as a function of temperature for the nanoscale samples is compared to the free energy obtained from ab initio calculations of bulk tin in the alpha-Sn and beta-Sn phase. In thin films this phase transition is governed by the interplay between the vibrational behavior of the film (the phase transition is driven by the vibrational entropy) and the stabilizing influence of the substrate (which depends on the film thickness). This brings a deeper understanding of the role of lattice vibrations in the phase transition of nanoscale Sn.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 8
DOI: 10.1103/PHYSREVB.100.075408
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“Confinement and edge effects on atomic collapse in graphene nanoribbons”. Wang J, Van Pottelberge R, Jacobs A, Van Duppen B, Peeters FM, Physical Review B 103, 035426 (2021). http://doi.org/10.1103/PHYSREVB.103.035426
Abstract: Atomic collapse in graphene nanoribbons behaves in a fundamentally different way as compared to monolayer graphene due to the presence of multiple energy bands and the effect of edges. For armchair nanoribbons we find that bound states gradually transform into atomic collapse states with increasing impurity charge. This is very different in zigzag nanoribbons where multiple quasi-one-dimensional bound states are found that originates from the zero-energy zigzag edge states. They are a consequence of the flat band and the electron distribution of these bound states exhibits two peaks. The lowest-energy edge state transforms from a bound state into an atomic collapse resonance and shows a distinct relocalization from the edge to the impurity position with increasing impurity charge.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 8
DOI: 10.1103/PHYSREVB.103.035426
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“Flexoelectricity and transport properties of phosphorene nanoribbons under mechanical bending”. Pandey T, Covaci L, Milošević, MV, Peeters FM, Physical Review B 103, 235406 (2021). http://doi.org/10.1103/PHYSREVB.103.235406
Abstract: We examine from first principles the flexoelectric properties of phosphorene nanoribbons under mechanical bending along armchair and zigzag directions. In both cases we find that the radial polarization depends linearly on the strain gradient. The flexoelectricity along the armchair direction is over 40% larger than along the zigzag direction. The obtained flexoelectric coefficients of phosphorene are four orders of magnitude larger than those of graphene and comparable to transition metal dichalcogenides. Analysis of charge density shows that the flexoelectricity mainly arises from the pz orbitals of phosphorus atoms. The electron mobilities in bent phosphorene can be enhanced by over 60% along the armchair direction, which is significantly higher than previous reports of mobility tuned by uniaxial strain. Our results indicate phosphorene is a candidate for a two-dimensional material applicable in flexible-electronic devices.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 8
DOI: 10.1103/PHYSREVB.103.235406
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“Effect of doping and elastic properties in (Mn,Fe)2(Si,P)”. Roy P, Torun E, de Groot RA, Physical review B 93, 094110 (2016). http://doi.org/10.1103/PhysRevB.93.094110
Abstract: Mixed magnetism (the coexistence of strong and weak magnetism in one material) is regarded as the origin of the giant magnetocaloric effect (GMCE). A good example is (Mn,Fe)(2)(Si,P), which is established as one of the best magnetocaloric materials available. Tuning the material properties are essential for optimizing its performance, and a straightforward way to do that is by doping. In this article, an ab initio electronic structure method was used to calculate the structure and magnetic properties of 3d-transition-metal-doped (Mn,Fe)(2)(Si,P) materials for magnetocaloric applications (transition metals are Cr, Co, Mn, Ni, Cu). For a steady performance, the material should be mechanically stable. A detailed analysis of the elastic constants shows that the mechanical stability of the (Mn,Fe)(2)(Si,P) system increases significantly by doping with boron without affecting the magnetic properties. Insights of the influence of doping enable future studies to understand and predict bettermagnetocaloric materials.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 9
DOI: 10.1103/PhysRevB.93.094110
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“Energy levels of ABC-stacked trilayer graphene quantum dots with infinite-mass boundary conditions”. Mirzakhani M, Zarenia M, da Costa DR, Ketabi SA, Peeters FM, Physical review B 94, 165423 (2016). http://doi.org/10.1103/PHYSREVB.94.165423
Abstract: Using the continuum model, we investigate the confined states and the corresponding wave functions of ABC-stacked trilayer graphene (TLG) quantum dots (QDs). First, a general infinite-mass boundary condition is derived and applied to calculate the electron and hole energy levels of a circular QD in both the absence and presence of a perpendicular magnetic field. Our analytical results for the energy spectra agree with those obtained by using the tight-binding model, where a TLG QD is surrounded by a staggered potential. Our findings show that (i) the energy spectrum exhibits intervalley symmetry E-K(e)(m) = -E-K'(h)(m) for the electron (e) and hole (h) states, where m is the angular momentum quantum number, (ii) the zero-energy Landau level (LL) is formed by the magnetic states with m <= 0 for both Dirac valleys, that is different from monolayer and bilayer graphene QD with infinite-mass potential in which only one of the cones contributes, and (iii) groups of three quantum Hall edge states in the tight-binding magnetic spectrum approach the zero LL, which results from the layer symmetry in TLG QDs.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 9
DOI: 10.1103/PHYSREVB.94.165423
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“Magnetopolaron effect on shallow-impurity states in the presence of magnetic and intense terahertz laser fields in the Faraday configuration”. Wang W, Van Duppen B, Van der Donck M, Peeters FM, Physical review B 97, 064108 (2018). http://doi.org/10.1103/PHYSREVB.97.064108
Abstract: The magnetopolaron effect on shallow-impurity states in semiconductors is investigated when subjected simultaneously to a magnetic field and an intense terahertz laser field within the Faraday configuration. We use a time-dependent nonperturbative theory to describe electron interactions. The externally applied fields are exactly included via a laser-dressed interaction potential. Through a variational approach we evaluate the binding energy of the shallow-impurity states. We find that the interaction strength of the laser-dressed Coulomb potential can not only be enhanced but also weakened by varying the two external fields. In this way, the binding energy can be tuned by the external fields and red-or blue-shifted with respect to the static binding energy. In the nonresonant polaron region, a magnetopolaron correction that includes the effects of photon process is observed. In the resonant polaron region, moreover, the resonant magnetopolaron effect accompanied by the emission and absorption of a single photon is distinctly observed. This can be modulated to be far away from the reststrahlen band. The intriguing findings of this paper can be observed experimentally and, in turn, provide a way to measure the strength of the electron-phonon interaction.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 9
DOI: 10.1103/PHYSREVB.97.064108
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“Veselago focusing of anisotropic massless Dirac fermions”. Zhang S-H, Yang W, Peeters FM, Physical review B 97, 205437 (2018). http://doi.org/10.1103/PHYSREVB.97.205437
Abstract: Massless Dirac fermions (MDFs) emerge as quasiparticles in various novel materials such as graphene and topological insulators, and they exhibit several intriguing properties, of which Veselago focusing is an outstanding example with a lot of possible applications. However, up to now Veselago focusing merely occurred in p-n junction devices based on the isotropic MDF, which lacks the tunability needed for realistic applications. Here, motivated by the emergence of novel Dirac materials, we investigate the propagation behaviors of anisotropic MDFs in such a p-n junction structure. By projecting the Hamiltonian of the anisotropic MDF to that of the isotropic MDF and deriving an exact analytical expression for the propagator, precise Veselago focusing is demonstrated without the need for mirror symmetry of the electron source and its focusing image. We show a tunable focusing position that can be used in a device to probe masked atom-scale defects. This study provides an innovative concept to realize Veselago focusing relevant for potential applications, and it paves the way for the design of novel electron optics devices by exploiting the anisotropic MDF.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 9
DOI: 10.1103/PHYSREVB.97.205437
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“Effect of boundary-induced chirality on magnetic textures in thin films”. Mulkers J, Hals KMD, Leliaert J, Milošević, MV, Van Waeyenberge B, Everschor-Sitte K, Physical review B 98, 064429 (2018). http://doi.org/10.1103/PHYSREVB.98.064429
Abstract: In the quest for miniaturizing magnetic devices, the effects of boundaries and surfaces become increasingly important. Here we show how the recently predicted boundary-induced Dzyaloshinskii-Moriya interaction (DMI) affects the magnetization of ferromagnetic films with a C-infinity v symmetry and a perpendicular magnetic anisotropy. For an otherwise uniformly magnetized film, we find a surface twist when the magnetization in the bulk is canted by an in-plane external field. This twist at the surfaces caused by the boundary-induced DMI differs from the common canting caused by internal DMI observed at the edges of a chiral magnet. Furthermore, we find that the surface twist due to the boundary-induced DMI strongly affects the width of the domain wall at the surfaces. We also find that the skyrmion radius increases in the depth of the film, with the average size of the skyrmion increasing with boundary-induced DMI. This increase suggests that the boundary-induced DMI contributes to the stability of the skyrmion.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 9
DOI: 10.1103/PHYSREVB.98.064429
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“Spectrum of exciton states in monolayer transition metal dichalcogenides : angular momentum and Landau levels”. Van der Donck M, Peeters FM, Physical review B 99, 115439 (2019). http://doi.org/10.1103/PHYSREVB.99.115439
Abstract: A four-band exciton Hamiltonian is constructed starting from the single-particle Dirac Hamiltonian for charge carriers in monolayer transition metal dichalcogenides (TMDs). The angular part of the exciton wave function can be separated from the radial part, in the case of zero center of mass momentum excitons, by exploiting the eigenstates of the total exciton angular momentum operator with which the Hamiltonian commutes. We explain why this approach fails for excitons with finite center of mass momentum or in the presence of a perpendicular magnetic field and present an approximation to resolve this issue. We calculate the (binding) energy and average interparticle distance of different excited exciton states in different TMDs and compare these with results available in the literature. Remarkably, we find that the intervalley exciton ground state in the -/+ K valley has angular momentum j = +/- 1, which is due to the pseudospin of the separate particles. The exciton mass and the exciton Landau levels are calculated and we find that the degeneracy of exciton states with opposite relative angular momentum is altered by a magnetic field.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 9
DOI: 10.1103/PHYSREVB.99.115439
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“Monolayer fluoro-InSe : formation of a thin monolayer via fluorination of InSe”. Yagmurcukardes M, Physical review B 100, 024108 (2019). http://doi.org/10.1103/PHYSREVB.100.024108
Abstract: By performing density functional theory-based first-principles calculations, the formation of a thin monolayer structure, namely InSeF, via fluorination of monolayer InSe is predicted. It is shown that strong interaction of F and In atoms leads to the detachment of In-Se layers in monolayer InSe and 1T-like monolayer InSeF structure is formed. Monolayer InSeF is found to be dynamically stable in terms of its phonon band dispersions. In addition, its Raman spectrum is shown to exhibit totally distinctive features as compared to monolayer InSe. The electronic band dispersions reveal that monolayer InSeF is a direct gap semiconductor whose valence and conduction band edges reside at the Gamma point. Moreover, the orientation-dependent linear elastic properties of monolayer InSeF are investigated in terms of the in-plane stiffness and Poisson ratio. It is found that monolayer InSeF displays strong in-plane anisotropy in elastic constants and it is slightly softer material as compared to monolayer InSe. Overall, it is proposed that a thin, direct gap semiconducting monolayer InSeF can be formed by full fluorination of monolayer InSe as a new member of the two-dimensional family.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 9
DOI: 10.1103/PHYSREVB.100.024108
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“Interband magnetooptical studies of resonant polaron coupling in CdTe/Cd1-xMnxTe quantum-wells”. Nicholas RJ, Sasaki S, Miura N, Peeters FM, Shi JM, Hai GQ, Devreese JT, Lawless MJ, Ashenford DE, Lunn B, Physical Review B 50, 7596 (1994). http://doi.org/10.1103/PhysRevB.50.7596
Abstract: Magnetoreflectivity measurements of the 1s and 2s exciton energies in a CdTe/Cd1-xMnxTe superlattice have been made in magnetic fields up to 45 T, showing the resonant polaron coupling of electrons to LO phonons. Strong reflectivity features are seen for both the 1s and 2s excitons, which show a strong field-dependent spin splitting due to the dilute magnetic barriers. At B-z=0, the 2s exciton feature is observed lying 18 meV above the Is state, and is shifted upward in energy by the magnetic fields. No resonant behavior occurs when the 2s state passes through the LO-phonon energy of 21 meV, but at higher fields of around 20 T, the resonances for both spin states (sigma(+/-)) of the 2s exciton broaden and show a strong anticrossing behavior. These experiments are shown to be in excellent agreement with a theoretical treatment which includes the resonant polaron coupling of the electrons alone. Both experiment and theory demonstrate an extremely strong resonant splitting of the 2s exciton states of approximately 11 meV, which is over 50% of the LO-phonon energy. The dominance of single-particle polaron coupling is attributed to the relative sizes of the polaron (35 Angstrom A) and the exciton (50 Angstrom A) radius.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 3.736
Times cited: 10
DOI: 10.1103/PhysRevB.50.7596
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“Theoretical model for the structural phase transition at the metal-insulator transition in polymerized KC60”. Verberck B, Nikolaev AV, Michel KH, Physical Review B 66, 165425 (2002). http://doi.org/10.1103/PhysRevB.66.165425
Abstract: The recently discovered structural transition in polymerized KC60 at about 50 K results in a doubling of the unit cell volume and accompanies the metal-insulator transition. Here we show that the ((a) over right arrow+(c) over right arrow,(b) over right arrow,(a) over right arrow-(c) over right arrow) superstructure results from small orientational charge density waves along the polymer chains and concomitant displacements of the surrounding K+ ions. The effect is specific for the space group Pmnn of KC60 and is absent in RbC60 and CsC60 (space group I2/m). The mechanism is relevant for the metal-insulator transition.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 10
DOI: 10.1103/PhysRevB.66.165425
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“Tight-binding model investigation of the biaxial strain induced topological phase transition in GeCH3”. Rezaei M, Sisakht ET, Fazileh F, Aslani Z, Peeters FM, Physical review B 96, 085441 (2017). http://doi.org/10.1103/PHYSREVB.96.085441
Abstract: We propose a tight-binding (TB) model, that includes spin-orbit coupling (SOC), to describe the electronic properties of methyl-substituted germanane (GeCH3). This model gives an electronic spectrum in agreement with first principle results close to the Fermi level. Using the Z(2) formalism, we show that a topological phase transition from a normal insulator (NI) to a quantum spin Hall (QSH) phase occurs at 11.6% biaxial tensile strain. The sensitivity of the electronic properties of this system on strain, in particular its transition to the topological insulating phase, makes it very attractive for applications in strain sensors and other microelectronic applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 10
DOI: 10.1103/PHYSREVB.96.085441
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