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Micromagnetic simulation of neutron scattering from spherical nanoparticles: Effect of pore-type defects Sinaga, Evelyn Pratami ; Adams, Michael Philipp ; Bersweiler, Mathias et al in Physical Review. B (2023), 107 Coulomb drag of viscous electron fluids: drag viscosity and negative drag conductivity Hasdeo, Eddwi Hesky ; ; Schmidt, Thomas E-print/Working paper (2022) Detailed reference viewed: 12 (0 UL)Spin-tunable thermoelectric performance in monolayer chromium pnictides ; ; et al in Physical Review Materials (2022), 6 Detailed reference viewed: 17 (1 UL)Long-lived qubit entanglement by surface plasmon polaritons in a Weyl semimetal ; Hasdeo, Eddwi Hesky ; et al in Physical Review. B, Condensed Matter and Materials Physics (2022), 106 Detailed reference viewed: 21 (1 UL)Kerr and Faraday rotations in topological flat and dispersive band structures ; ; et al in New Journal of Physics (2022), 24(6), 063003 Integer quantum Hall (IQH) states and quantum anomalous Hall (QAH) states show the same static dc response but distinct dynamical ac response. In particular, the ac anomalous Hall conductivity profile σ ... [more ▼] Integer quantum Hall (IQH) states and quantum anomalous Hall (QAH) states show the same static dc response but distinct dynamical ac response. In particular, the ac anomalous Hall conductivity profile σ yx (ω) is sensitive to the band shape of QAH states. For example, dispersive QAH bands shows resonance profile without a sign change at the band gap while the IQH states shows the sign change resonance at the cyclotron energy. We argue by flattening the dispersive QAH bands, σ yx (ω) should recover to that of flat Landau bands in IQH, thus it is necessary to know the origin of the sign change. Taking a topological lattice model with tunable bandwidth, we found that the origin of the sign change is not the band gap but the van Hove singularity energy of the QAH bands. In the limit of small bandwidth, the flat QAH bands recovers σ yx (ω) of the IQH Landau bands. Because of the Hall response, these topological bands exhibit giant polarization rotation and ellipticity in the reflected waves (Kerr effect) and rotation in the order of fine structure constant in the transmitted waves (Faraday effect) with profile resembles σ yx (ω). Our results serve as a simple guide to optical characterization for topological flat bands. [less ▲] Detailed reference viewed: 72 (2 UL)Thermoelectric properties of semiconducting materials with parabolic and pudding-mold band structures ; ; Hasdeo, Eddwi Hesky et al in Materials Today Communications (2022), 31 By a combination of semi-analytical Boltzmann transport and first-principles calculations, we systematically investigate thermoelectric properties of semiconducting (gapped) materials by varying the ... [more ▼] By a combination of semi-analytical Boltzmann transport and first-principles calculations, we systematically investigate thermoelectric properties of semiconducting (gapped) materials by varying the degrees of polynomials in their energy dispersion relations, in which either the valence or conduction energy dispersion depends on the wave vector raised to the power of two, four, and six. Within the relaxation time approximation, we consider various effects such as band gaps, dimensionalities, and dispersion powers to understand the conditions that can give the optimal thermoelectric efficiency or figure of merit (ZT). Our calculations show that the so-called pudding-mold band structure produces larger electrical and thermal conductivities than the parabolic band, but no significant difference is found in the Seebeck coefficients of the pudding-mold and parabolic bands. Tuning the band gap of the material to an optimum value simultaneously with breaking the band symmetry, the largest ZT is found in a combination of two-contrasting polynomial powers in the dispersion relations of valence and conduction bands. This band asymmetry also shifts the charge neutrality away from the undoped level and allows optimal ZT to be located at a smaller chemical potential. We expect this work to trigger high-throughput calculations for screening of potential thermoelectric materials combining various polynomial powers in the energy dispersion relations of semiconductors. We give preliminary screening results for bulk PtS2 and FeAs2 compared with Si, where we indicate that the former two have better thermoelectric performance than the latter. [less ▲] Detailed reference viewed: 25 (1 UL)Effects of topological band structure on thermoelectric transport of bismuthene ; ; Hasdeo, Eddwi Hesky in Physical Review. B (2021), 104(20), 205105 Two-dimensional bismuth (Bi) layer, known as bismuthene, exhibits Z2 topological bulk states due to large spin-orbit coupling that inverts the bands. Using the tight-binding method, we calculate the band ... [more ▼] Two-dimensional bismuth (Bi) layer, known as bismuthene, exhibits Z2 topological bulk states due to large spin-orbit coupling that inverts the bands. Using the tight-binding method, we calculate the band structure of buckled bismuthene to understand its topological and trivial phases. We determine the thermoelectric properties for some considered phases, incorporating the edge states contribution, by using the linearized Boltzmann transport equation with a constant relaxation time approximation. It is shown that the thermoelectric figure of merit, ZT, actually drops in undoped topological bismuthene due to the edge effects. Surprisingly, the topological edge states enhance ZT at large doping with the Fermi energy near the bottom of bulk bands when bismuthene is nearly metallic. [less ▲] Detailed reference viewed: 51 (2 UL)Kerr effect in tilted nodal loop semimetals Ekström, Carl Johan Ingvar ; Hasdeo, Eddwi Hesky ; Farias, Maria Belen et al in Physical Review. B (2021), 104(12), 125411 We investigate the optical activity of tilted nodal loop semimetals. We calculate the full conductivity matrix for a band structure containing a nodal loop with possible tilt in the x−y plane, which ... [more ▼] We investigate the optical activity of tilted nodal loop semimetals. We calculate the full conductivity matrix for a band structure containing a nodal loop with possible tilt in the x−y plane, which allows us to study the Kerr rotation and ellipticity both for a thin film and a bulk material. We find signatures in the Kerr signal that give direct information about the tilt velocity and direction, the radius of the nodal loop and the internal chemical potential of the system. These findings should serve as guide to understanding optical measurements of nodal loop semimetals and as an additional tool to characterize them. [less ▲] Detailed reference viewed: 74 (7 UL)A Comparative Study of Thermoelectric Properties of Monolayer, Bilayer and Bulk CrI3 ; ; Hasdeo, Eddwi Hesky et al in AIP Conference Proceedings (2021), 2382(1), 020004 We comparatively study the electronic and thermoelectric properties of the monolayer, bilayer, and bulk CrI3 by density functional theory (DFT). We show that, according to the DFT calculation, those ... [more ▼] We comparatively study the electronic and thermoelectric properties of the monolayer, bilayer, and bulk CrI3 by density functional theory (DFT). We show that, according to the DFT calculation, those materials are magnetic semiconductors with ferromagnetic (FM) in monolayer, antiferromagnetic (AFM) in the bilayer, back to FM in the bulk structure. The thermoelectric properties of those materials are evaluated by using the Boltzmann transport equation (BTE) with a constant relaxation time approximation (RTA). At room temperature, we obtain bulk CrI3 has more significant electrical conductivity than monolayer and bilayer CrI3, while the Seebeck coefficient is similar that implied the bulk CrI3 has a better thermoelectric performance. In those systems, the optimum power factor is obtained by shifting the chemical potential of CrI3 by 1 eV with p-type doping. [less ▲] Detailed reference viewed: 39 (1 UL)The Quest and Hope of Majorana Zero Modes in Topological Superconductor for Fault Tolerant Quantum Computing: An Introductory Overview ; ; Hasdeo, Eddwi Hesky in AIP Conference Proceedings (2021, August 10), 2382(1), 020007 Ettore Majorana, in his short life, unintendedly has uncovered the most profound problem in quantum computation by his discovery of Majorana fermion, a particle which is its own anti-particle. Owing to ... [more ▼] Ettore Majorana, in his short life, unintendedly has uncovered the most profound problem in quantum computation by his discovery of Majorana fermion, a particle which is its own anti-particle. Owing to its non-Abelian exchange statistics, Majorana fermions may act as a qubit for a universal quantum computer which is fault-tolerant. The existence of such particle is predicted in mid-gap states (zero modes) of a topological superconductor as bound states that have a highly entangled degenerate ground state. This introductory overview will focus on the simplest theoretical proposals of Majorana fermions for topological quantum computing in superconducting systems, emphasizing the quest from the scalability problem of quantum computer to its possible solution with topological quantum computer employing non-Abelian anyons on various platforms of certain Majorana fermion signature encountered. [less ▲] Detailed reference viewed: 57 (3 UL)Investigation of electron and phonon transport in Bi-doped CaMnO3 for thermoelectric applications ; ; et al in Materials Research Bulletin (2021), 141 The electron and phonon transports in CaMnO3 and in one of its Bi-doped counterparts, namely, Bi0.03Ca0.97MnO3, are investigated using the thermoelectric transport measurements and first-principles ... [more ▼] The electron and phonon transports in CaMnO3 and in one of its Bi-doped counterparts, namely, Bi0.03Ca0.97MnO3, are investigated using the thermoelectric transport measurements and first-principles calculations. We find that antiferromagnetic insulator CaMnO3 breaks the Wiedemann–Franz law with the Lorenz number reaching four times that of ordinary metals at room temperature. Bismuth doping reduces both the electrical resistivity and Seebeck coefficient of CaMnO3; thus, it recovers the Wiedemann–Franz law behavior. In addition, Bi0.03Ca0.97MnO3 possesses a shorter phonon lifetime according to the transport measurements. As a result, Bi0.03Ca0.97MnO3 exhibits superior thermoelectric properties over pristine CaMnO3 owing to the lower thermal conductivity and electrical resistivity. [less ▲] Detailed reference viewed: 60 (2 UL)Non-universal Scaling of Thermoelectric Efficiency in 3D and 2D Thermoelectric Semiconductors ; Hasdeo, Eddwi Hesky in Advances in Natural Sciences: Nanoscience and Nanotechnology (2021), 12 We performed the first-principles calculation on common thermoelectric semiconductors Bi2Te3, Bi2Se3, SiGe, and PbTe in bulk three-dimension (3D) and two-dimension (2D). We found that miniaturization of ... [more ▼] We performed the first-principles calculation on common thermoelectric semiconductors Bi2Te3, Bi2Se3, SiGe, and PbTe in bulk three-dimension (3D) and two-dimension (2D). We found that miniaturization of materials does not generally increase the thermoelectric figure of merit (ZT) according to the Hicks and Dresselhaus (HD) theory. For example, ZT values of 2D PbTe (0.32) and 2D SiGe (0.04) are smaller than their 3D counterparts (0.49 and 0.09, respectively). Meanwhile, the ZT values of 2D Bi2Te3 (0.57) and 2D Bi2Se3 (0.43) are larger than the bulks (0.54 and 0.18, respectively), which agree with HD theory. The HD theory breakdown occurs because the band gap and band flatness of the materials change upon dimensional reduction. We found that flat bands give a larger electrical conductivity (σ) and electronic thermal conductivity (κel) in 3D materials, and smaller values in 2D materials. In all cases, maximum ZT values increase proportionally with the band gap and saturate for the band gap above 10 kBT. The 2D Bi2Te3 and Bi2Se3 obtain a higher ZT due to the flat corrugated bands and narrow peaks in their DOS. Meanwhile, the 2D PbTe violates HD theory due to the flatter bands it exhibits, while 2D SiGe possesses a small gap Dirac-cone band. [less ▲] Detailed reference viewed: 44 (3 UL)Electron hydrodynamics of anomalous Hall materials Hasdeo, Eddwi Hesky ; Ekström, Carl Johan Ingvar ; Idrisov, Edvin et al in Physical Review. B (2021), 103(12), 125106 We study two-dimensional electron systems in the hydrodynamic regime. We show that a geometrical Berry curvature modifies the effective Navier-Stokes equation for viscous electron flow in topological ... [more ▼] We study two-dimensional electron systems in the hydrodynamic regime. We show that a geometrical Berry curvature modifies the effective Navier-Stokes equation for viscous electron flow in topological materials. For small electric fields, the Hall current becomes negligible compared to the viscous longitudinal current. In this regime, we highlight an unconventional Poiseuille flow with an asymmetric profile and a deviation of the maximum of the current from the center of the system. In a two-dimensional infinite geometry, the Berry curvature leads to current whirlpools and an asymmetry of potential profile. This phenomenon can be probed by measuring the asymmetric non-local resistance profile. [less ▲] Detailed reference viewed: 102 (17 UL)Strain effects on band structure and Dirac nodal-line morphology of ZrSiSe ; Hasdeo, Eddwi Hesky in Journal of Applied Physics (2021), 129(1), 014306 The Dirac nodal-line semimetals are new promising materials for technological applications due to their exotic properties, which originate from band structure dispersion and nodal-line behavior. We report ... [more ▼] The Dirac nodal-line semimetals are new promising materials for technological applications due to their exotic properties, which originate from band structure dispersion and nodal-line behavior. We report strain effects on the band structure of ZrSiSe Dirac nodal-line semimetal through the density functional theory calculations. We found that the kz=0 Dirac nodal-line of ZrSiSe is robust to all strains under reasonable magnitude although there are significant changes in the band oscillation amplitude, bandgap, and band occupancy due to orbital interactions and the Fermi energy shift upon strains. We also found that the effective strains to tune the nodal-line and band structure are equi-biaxial tensile, uniaxial (100) tensile, and xz-plane shear strains. [less ▲] Detailed reference viewed: 97 (1 UL)Optical properties of topological flat and dispersive bands Habibi, Alireza ; ; et al E-print/Working paper (2021) We study the optical properties of topological flat and dispersive bands. Due to their topological nature, there exists an anomalous Hall response which gives rise to a transverse current without applied ... [more ▼] We study the optical properties of topological flat and dispersive bands. Due to their topological nature, there exists an anomalous Hall response which gives rise to a transverse current without applied magnetic field. The dynamical Hall conductivity of systems with flat bands exhibits a sign change when the excitation energy is on resonance with the band gap, similar to the magnetotransport Hall conductivity profile. The sign change of the Hall conductivity is located at the frequency corresponding to the singularity of the joint density of states, i.e., the van Hove singularity (VHS). For perfectly flat bands, this VHS energy matches the band gap. On the other hand, in the case of dispersive bands, the VHS energy is located above the band gap. As a result, the two features of the Hall conductivity, i.e., the resonant feature at the band gap and the sign change at the VHS energy, become separated. This anomalous Hall response rotates the polarization of an electric field and can be detected in the reflected and transmitted waves, as Kerr and Faraday rotations, respectively, thus allowing a simple optical characterization of topological flat bands. [less ▲] Detailed reference viewed: 55 (8 UL)Formation of ultra-thin Ge1−xSnx/Ge1−x−ySixSny quantum heterostructures and their electrical properties for realizing resonant tunneling diode ; ; et al in Applied Physics Letters (2020), 117(23), 232104 Huge thermal noise owing to the narrow energy bandgap is one of the critical issues for group IV-based photonics in the mid-infrared regime. With this motivation, we examined to form Ge1−xSnx ... [more ▼] Huge thermal noise owing to the narrow energy bandgap is one of the critical issues for group IV-based photonics in the mid-infrared regime. With this motivation, we examined to form Ge1−xSnx/Ge1−x−ySixSny quantum heterostructures (QHs) by molecular beam epitaxy for realizing resonant tunneling diodes composed of group-IV materials. We confirmed the formation of approximately 2 nm-thick Ge1−xSnx/Ge1−x−ySixSny QHs with atomically flat interfaces by x-ray diffraction and transmission electron microscopy methods. Moreover, by the current density–voltage (J–V) measurement at 10 K, we observed the occurrence of a non-linear distinct hump in the J–V characteristic, which is possibly originated from quantum transport of heavy holes. According to the tunneling transmission spectra simulation result, the hump property would be due to two possible scenarios: a resonant tunneling of heavy holes in the QH and/or a resonance phenomenon that heavy holes pass just above a potential barrier. [less ▲] Detailed reference viewed: 82 (0 UL)Ab-initio calculation of muon spin polarization function to study lithium-ion diffusion in LiTi2O4 battery material ; ; et al in AIP Conference Proceedings (2020), 2256(1), 030015 We report the study of lithium-ion diffusion in LiTi2O4 battery material by the analysis of muon spin polarization function at the muon site by DFT calculation. The important parameters which explain the ... [more ▼] We report the study of lithium-ion diffusion in LiTi2O4 battery material by the analysis of muon spin polarization function at the muon site by DFT calculation. The important parameters which explain the lithium-ion diffusion will be derived from the function, including the field fluctuation rate and the local field distribution. The calculated results are shown in good agreement with the previously measured field distribution and the field fluctuation rate in LiTi2O4 at the ground state temperature. This method, therefore, may apply to the study of other battery materials. [less ▲] Detailed reference viewed: 84 (1 UL)Thermoelectric properties of two-dimensional Dirac materials Hasdeo, Eddwi Hesky ; ; in AIP Conference Proceedings (2020), 2256(1), 030010 We performed Boltzmann transport calculation to obtain the Seebeck coefficient, electrical conductivity, electronic thermal conductivity, and thermoelectric figure of merit (ZT) for Dirac systems. We ... [more ▼] We performed Boltzmann transport calculation to obtain the Seebeck coefficient, electrical conductivity, electronic thermal conductivity, and thermoelectric figure of merit (ZT) for Dirac systems. We found an enhancement of ZT due to the gap opening. When the phonon thermal conductivity is small enough, the optimum ZT in gapped Dirac system can be larger than 1, which is preferable for thermoelectric applications. [less ▲] Detailed reference viewed: 46 (0 UL)Thermoelectric properties of two-dimensional hydrogenated borophene: A first-principles study ; Hasdeo, Eddwi Hesky ; et al in AIP Conference Proceedings (2020), 2256(1), 030017 We theoretically study electronic and thermoelectric properties of two-dimensional hydrogenated borophene (”boro-phane”). We show that, according to the first-principles calculation, hydrogenated ... [more ▼] We theoretically study electronic and thermoelectric properties of two-dimensional hydrogenated borophene (”boro-phane”). We show that, according to the first-principles calculation, hydrogenated borophene is semimetallic, with two bands meeting at a single point at the Fermi level. The thermoelectric properties evaluated by using the Boltzmann equation with a constant relaxation time approximation (CRTA). At room temperature, we obtain large power factor for electron doping regime. Therefore, appropriate doping to this material can enhance its thermoelectric efficiency. [less ▲] Detailed reference viewed: 61 (0 UL)Thermoelectric properties of Mexican-hat band structures ; ; et al in Advances in Natural Sciences: Nanoscience and Nanotechnology (2020), 11(1), 015012 Materials with Mexican-hat electronic energy dispersions emerging from heterostructures, substrate effects, or spin–orbit couplings are believed to exhibit excellent thermoelectric properties due to its ... [more ▼] Materials with Mexican-hat electronic energy dispersions emerging from heterostructures, substrate effects, or spin–orbit couplings are believed to exhibit excellent thermoelectric properties due to its van Hove singularity of density of states in two-dimension. However, within a constant relaxation time approximation, we disprove this belief and we find that the singularity effect is cancelled down by the group velocity contribution in the thermoelectric transport distribution. Nevertheless, the band parameters can still be optimised to reach thermoelectric figure of merit larger than 2 in a wide bandwidth, thus keeping the potential of materials with Mexican-hat bands for thermoelectric applications. [less ▲] Detailed reference viewed: 34 (0 UL) |
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