Linear Band Dispersion Research Articles

Ultrafast Opto-Electronic and Thermal Tuning of Third-Harmonic Generation in a Graphene Field Effect Transistor.

Graphene is a unique platform for tunable opto-electronic applications thanks to its linear band dispersion, which allows electrical control of resonant light-matter interactions. Tuning the nonlinear optical response of graphene is possible both electrically and in an all-optical fashion, but each approach involves a trade-off between speed and modulation depth. Here, lattice temperature, electron doping, and all-optical tuning of third-harmonic generation are combined in a hexagonal boron nitride-encapsulated graphene opto-electronic device and demonstrate up to 85% modulation depth along with gate-tunable ultrafast dynamics. These results arise from the dynamic changes in the transient electronic temperature combined with Pauli blocking induced by the out-of-equilibrium chemical potential. The work provides a detailed description of the transient nonlinear optical and electronic response of graphene, which is crucial for the design of nanoscale and ultrafast optical modulators, detectors, and frequency converters.

Large Transverse Thermoelectric Power Factor in Topological Semimetal NbAs2

AbstractThe distinctive properties of topological semimetals, including linear band dispersion and compensated electron‐hole carriers, have positioned these materials at the forefront of research in power generation and solid‐state cooling due to their remarkable magneto‐thermoelectric performance. In this work, the transverse thermoelectric characteristics of the topological semimetal NbAs2 are studied. Specifically, under a magnetic field of 9 T, the Nernst coefficient displays a linear and unsaturated trend, reaching a peak of 600 µV K−1 at 35 K. Consequently, this engenders a substantial transverse power factor (tPF) of 850 µW cm−1 K−2 under a 5 T magnetic field. The exceptional attributes of NbAs2 driven by its remarkably high carrier mobility and compensated electron‐hole concentration near the Fermi level are revealed by band structure analysis based on theoretical calculations and quantum oscillations. This work not only underscores the immense potential of topological semimetals as transverse thermoelectric materials for niche applications where magnetic fields exist but also provides valuable guidance for the discovery and optimization of topological materials for promising thermoelectric performance.

High-entropy engineering of the crystal and electronic structures in a Dirac material

Dirac and Weyl semimetals are a central topic of contemporary condensed matter physics, and the discovery of new compounds with Dirac/Weyl electronic states is crucial to the advancement of topological materials and quantum technologies. Here we show a widely applicable strategy that uses high configuration entropy to engineer relativistic electronic states. We take the AMnSb2 (A = Ba, Sr, Ca, Eu, and Yb) Dirac material family as an example and demonstrate that mixing of Ba, Sr, Ca, Eu and Yb at the A site generates the compound (Ba0.38Sr0.14Ca0.16Eu0.16Yb0.16)MnSb2 (denoted as A5MnSb2), giving access to a polar structure with a space group that is not present in any of the parent compounds. A5MnSb2 is an entropy-stabilized phase that preserves its linear band dispersion despite considerable lattice disorder. Although both A5MnSb2 and AMnSb2 have quasi-two-dimensional crystal structures, the two-dimensional Dirac states in the pristine AMnSb2 evolve into a highly anisotropic quasi-three-dimensional Dirac state triggered by local structure distortions in the high-entropy phase, which is revealed by Shubnikov–de Haas oscillations measurements.

Unconventional anomalous Hall effect in Zintl thermoelectric Eu[formula omitted]ZnSb[formula omitted

The outstanding performance of thermoelectric materials is intimately related to complicated electronic band structures that may comprise topological linear dispersion bands. In this work, the exotic magnetism and magneto-transport properties of thermoelectric Eu2ZnSb2 single crystal are investigated. Temperature- and field-dependent magnetization reveal an antiferromagnetic (AFM) ground state and highly localized magnetic moments of Eu2+ ions. The longitudinal resistivity [ρxx(T)] and magnetoresistivity (MR) unveil the coexistence of underlying ferromagnetic (FM) and AFM fluctuations. Furthermore, an unconventional anomalous Hall effect (UAHE) for both above and below the AFM phase transition temperature (TN) is observed, which is suggested to be caused by the vacancy-induced Weyl bands and strong magnetic fluctuations. Our work is benefit for understanding the exotic band structures and thermoelectric properties in Eu2ZnSb2.

Extremely large magnetoresistance and quantum oscillations in semimetal Ni3In2S2

In this work, we present magnetotransport properties and quantum oscillations in single-crystalline shandite compound Ni3In2S2, which is a recently identified semimetal with endless Dirac-nodal lines. Ni3In2S2 displays a giant transverse magnetoresistance of ∼24 000 % at 2 K and 14 T and a magnetic field-induced resistivity upturn behavior at low temperatures. Below 50 K, the magnetoresistance curves show a linear magnetic field dependence under high magnetic fields. The computation results indicate that Ni3In2S2 is a semimetal with linear crossings near the Fermi level. The small effective mass, deduced from de Haas–van Alphen quantum oscillations, suggests the high carrier mobility in Ni3In2S2. The high mobility and quantum linear magnetoresistance resulting from the linear dispersive bands jointly lead to the extreme transverse magnetoresistance in our Ni3In2S2 crystal. Our findings can be a reference to understand and search for semimetals with extreme magnetoresistance.

A Novel Quasi-Planar Two-dimensional Carbon Sulfide with Negative Poisson's ratio and Dirac fermions.

In the present study, a novel and unconventional two-dimensional (2D) material with Dirac electronic features hasbeen designed using sulflower with the help of density functional theory methods and first principles calculations.This 2D material comprises of hetero atoms (C, S) and belongs to the tetragonal lattice with P4/nmm space group. Scrutiny of the results show that the 2D sheet exhibits a nanoporous wave-like geometrical structure. Quantummolecular dynamics simulations and phonon mode analysis emphasize the dynamical and thermal stability. Thenovel 2D sheet is an auxetic material with an anisotropy in the in-plane mechanical properties. Both compositionand geometrical features are completely different from the necessary conditions for the formation of Dirac conesin graphene. However, the presence of semi-metallic nature, linear band dispersion relation, massive fermions andmassless Dirac fermions are observed in the novel 2D sheet. The massless Dirac fermions exhibit highly isotropicFermi velocities (vf = 0.71 × 106 m/s) along all crystallographic directions. The zero-band gap semi metallic featuresof the novel 2D sheet are perturbative to the electric field and external strain.

Growth of Bi2Te3 topological insulator ultra-thin layers via molecular beam epitaxy on GaAs (100)

Ultra-thin layers (<8 nm) of a Bi2Te3 topological insulator have been grown on GaAs (100) substrates using molecular beam epitaxy. The growth was performed from a single Bi2Te3 effusion cell and one source of extra tellurium. Optical and structural characterizations were carried out through Raman spectroscopy, x-ray diffraction, atomic force microscopy, and scanning electron microscopy. The topological insulator properties were also investigated by angle-resolved photoelectron spectroscopy. A layer of 5 nm showed Dirac cone-like linear electronic band dispersion, indicating the signature of a topological insulator with the Dirac point having large binding energy relative to the Fermi level as expected for ultra-thin films. Topological insulator properties were also investigated at the initial growth stage where deposition follows an islandlike growth mode. Our results can contribute to the development of practical chalcogenide-based thin-film spintronics devices.

Essential role of momentum-forbidden dark excitons in the energy transfer responses of monolayer transition-metal dichalcogenides

We present a theoretical investigation of exciton-mediated Förster resonant energy transfers (FRET’s) from photoexcited quantum dots (QD’s) to transition-metal dichalcogenide monolayers (TMD-ML’s), implemented by the quantum theory of FRET on the base of first-principles-calculated exciton fine structures. With the enhanced electron-hole Coulomb interactions, atomically thin TMD-MLs are shown to serve as an exceptional platform for FRET that are mediated purely by excitons and take full advantage of the superior excitonic properties. Remarkably, the energy-transfer responses of atomically thin TMD-ML’s are shown to be dictated by the momentum-forbidden dark excitons rather than the commonly recognized bright ones. Specifically, the longitudinal dark exciton states following the exchange-driven light-like linear band dispersion play a key role in grading up the efficiency and robustness of FRET of TMD-ML against the inhomogeneity of QD-donor ensembles. With the essential involvement of dark excitons, the FRET responses of TMD-ML’s no longer follow the distance power law as classically predicted and, notably, cannot manifest the dimensionality of the donor-acceptor system.

Stacking order effects on the energetics and electronic properties of [formula omitted]-doped graphene/h-BN van der Waals heterostructures on SiC(0001)

Heterostructures based on the stacking of two-dimensional materials with different electronic properties have been the subject of several studies addressing the development of novel devices with multiple functionalities. Graphene (G)/hexagonal boron nitride (h-BN) van der Waals (vdW) systems have been extensively investigated, including studies on the large-scale synthesis of h-BN on graphene/SiC(0001) substrate. This work is a theoretical study using first-principles calculations of bilayer (G/h-BN) and trilayer (G/h-BN/G) heterostructures on SiC(0001) covered by a carbon buffer layer (SiC). The results show an energetic preference for h-BN encapsulation below a single layer of graphene on SiC, viz.: G/h-BN/SiC in the case of bilayer systems and G/h-BN/G/SiC in the case of trilayer systems. Indeed, the electronic structure calculations reveal the preservation of graphene linear energy band dispersion in the bilayer systems. The trilayer systems’ electronic structure depends on the stacking order, with the emergence of parabolic bands in energetically less stable systems. Structural characterizations of these bilayers and trilayers on SiC were carried out based on simulations of C-1s core-level-shift (CLS) and carbon K-edge X-ray absorption near edge spectroscopy (XANES) with the goal of assisting future experimental spectroscopy in these graphene/h-BN vdW systems.

Realization of a New Graphene-Ferromagnet Interface with Dirac Linear Band Dispersion.

The integration of graphene in spintronics applications requires its close contact with ferromagnetic materials, promoting effective spin injection. At the same time, the linear energy vs wave-vector dependence for the charge carriers in the vicinity of the Fermi level for graphene has to be conserved. Here, motivated by recent theoretical predictions, we present the experimental realization on the synthesis of graphene/ferromagnetic-Mn5Ge3/semiconducting-Ge heterostructures using the intercalation of Mn in the epitaxial graphene/Ge interfaces. Different in situ and ex situ methods confirm the formation of such heterosystems, where graphene is in close contact with ferromagnetic Mn5Ge3, as the Curie temperature reaches room temperature. Despite the expected small distance between graphene and Mn5Ge3 causing the strong interaction at interfaces, our angle-resolved photoelectron spectroscopy experiments for the formed graphene/Mn5Ge3 interfaces confirm the linear band dispersion around the Fermi level for the carriers in graphene. These findings open up an interesting perspective for the integration of graphene in modern semiconductor technology with possible implications for spintronics device fabrication.

Intrinsic Triple Degeneracy Point Bounded by Nodal Surfaces in Chiral Photonic Crystal.

In periodic systems, band degeneracies are typically protected and classified by spatial symmetries. However, in photonic systems, the Γ point at zero frequency is an intrinsic degeneracy due to the polarization degree of freedom of electromagnetic waves. For chiral photonic crystals, such an intrinsic degeneracy carries ±2 chiral topological charge while having linear band dispersions, different from the general perception of charge-2 nodes being associated with quadratic dispersions. Here, we show that these topological characters originate from the spin-1 Weyl point at zero frequency node of triple degeneracy, due to the existence of an electrostatic flat band. Such a topological charge at zero frequency is usually buried in bulk band projections and has never been experimentally observed. To address this challenge, we introduce space-group screw symmetries in the design of chiral photonic crystal, which makes the Brillouin zone boundary an oppositely charged nodal surface enclosing the Γ point. As a result, the emergent Fermi arcs are forced to connect the projections of these topological singularities, enabling their experimental observation. The number of Fermi arcs then directly reveals the embedded topological charge at zero frequency.

Electric transport properties of Cu-doped NbTe2 single crystals

NbTe2 is a monoclinic quasi-two-dimensional layered semimetal. This paper reports the change of physical properties of NbTe2 single crystals under the action of copper substitution. The zero-field ab-plane resistivity ρxx shows that the samples havegood metallicity. Magnetoresistance changes of up to 23% were observed at a magnetic field of 13 T without any tendency to saturate. We have observed linear magnetoresistance under high magnetic field, which will be attributed to the linear band dispersion of small Fermi pockets. And we use a formula to describe the linear relationship: ρ=NiBπn2ec∝B. The curve of the Hall resistance changing with the magnetic field at the same temperature has a linear relationship with the magnetic field, and the slope is positive, which indicates that the carrier type is mainly hole-type carriers.

Effective carrier doping and quantum capacitance manipulation of graphene through two-dimensional solid electrolytes of ScI3 and YBr3

Effective carrier doping would be expected to enhance the electrical conductivity and further improve the quantum capacitance (Cq) of graphene. In this work, two-dimensional solid electrolytes of ScI3 and YBr3 as buffer layers have been proposed to modulate the carrier density and improve the Cq. By using first-principles calculations, the effective carrier doping has been examined by building heterostructures of graphene/ScI3 and graphene/YBr3 combined with Li, Na, K, Ca, F dopants. The n-type doping with electron density and p-type doping with hole density of graphene reach up to 1.14 × 1014 cm−2 and 6.66 × 1013 cm−2, respectively. Remarkably, the linear band dispersions of graphene are maintained near the Dirac point. Moreover, the Cq is significantly increased around the zero bias due to the increased density of states near the Fermi level. For Li-, Na-, K-, and Ca-doped systems, the Cq in the negative bias region is effectively enhanced while the Cq is improved in the positive bias region for F-doped system. These results provide an ideal route to implement the effective carrier doping and the Cq manipulation of graphene, facilitating the applications of graphene as electrodes in high-performance optoelectronics and energy storage devices, such as light-emitting diodes, solar cells and supercapacitors.

Flat optical conductivity in the topological kagome magnet TbMn6Sn6

Kagome magnet TbMn$_6$Sn$_6$ is a new type of topological material that is known to support exotic quantum magnetic states. Experimental work has identified that TbMn$_6$Sn$_6$ hosts Dirac electronic states that could lead to topological and Chern quantum phases, but the optical response of the Dirac fermions of TbMn$_6$Sn$_6$ and its properties remain to be explored. Here, we perform optical spectroscopy measurement combined with first-principles calculations on single-crystal sample of TbMn$_6$Sn$_6$ to investigate the associated exotic phenomena. TbMn$_6$Sn$_6$ exhibits frequency-independent optical conductivity spectra in a broad range from 1800 to 3000 cm$^{-1}$ (220-370 meV) in experiments. The theoretical band structures and optical conductivity spectra are calculated with several shifted Fermi energy to compare with the experiment. The theoretical spectra with 0.56 eV shift for Fermi energy are well consistent with our experimental results. Besides, the massive quasi-two-dimensional (quasi-2D) Dirac bands, which have linear band dispersion in $k_x$-$k_y$ plane and no band dispersion along the $k_z$ direction, exist close to the shifted Fermi energy. According to tight-binding model analysis, the quasi-2D Dirac bands give rise to a flat optical conductivity, while its value is smaller than, about one tenth of, that from the calculations and experiments. It indicates that the other trivial bands also contribute to the flat optical conductivity.

Graphene delamination from chemical vapor deposited turbostratic multilayer graphene for TEM analysis

Turbostratic multilayer graphene (MLG) is of great interest due to its unique electronic properties resulting from a linear band dispersion at the K point, which is similar to that of single-layer graphene. The band structure is derived from the stacking structure of turbostratic MLG where graphene layers have random in-plane rotations with respect to each other. Although wafer-scale growth of turbostratic MLG has been demonstrated, the crystallinity of individual graphene layers is still challenging to investigate. In this study, we present a new approach to reveal the grain structure of turbostratic MLG by transmission electron microscopy (TEM) observation. Mechanical delamination is demonstrated for the chemical vapor deposited MLG to peel off the topmost graphene layers by using a polydimethylsiloxane sheet. Micrometer-scale patterning of the MLG prior to the delamination is found to be effective to obtain graphene films with the designed shape and arrangement. Furthermore, the delaminated graphene films are successfully transferred onto a TEM grid, enabling us to estimate the grain size of the turbostratic MLG. This method is potentially applicable for not only preparing samples but also fabricating vertically stacked heterostructure devices using 2D materials.

Recent advances in photonics of three-dimensional Dirac semimetal Cd3As2

Due to their unusual features in condensed matter physics and their applicability in optical and optoelectronic applications, three-dimensional Dirac semimetals (3D DSMs) have garnered substantial interest in recent years. In contrast to monolayer graphene, 3D DSM exhibits linear band dispersion despite its macroscopic thickness. Therefore, being a bulk material, it is easy to make nanostructures with 3D DSM, just as one normally does with metals such as gold and silver. Among 3D DSMs, cadmium arsenide (Cd3As2) is quite famous and considered an excellent 3D DSM due to its chemical stability in air and extraordinary optical response. In this review, advances in 3D DSM Cd3As2 fabrication techniques and recent progress in the photonics of 3D DSM Cd3As2 are given and briefly reviewed. Various photonic features, including linear and nonlinear plasmonics, optical absorption, optical harmonic generation, and ultrafast dynamics, have been explored in detail. It is expected that Cd3As2 would share an excellent tunable photonic response like graphene. We envision that this article may serve as a concise overview of the recent progress of photonics in 3D DSM Cd3As2 and provides a compact reference for young researchers.

Nontrivial effect of out-of-plane acoustic phonon mode on limiting room temperature conductivity of ABA-stacked trilayer graphene

The ABA-stacked trilayer graphene (TLG) has a parabolic dispersion band spanning the Fermi level, apart from the linear dispersion band which is almost a duplicate of that in monolayer graphene (MLG). Such a band structure implies that the TLG is a metal and seemingly has a larger conductivity than MLG due to the additional contributions of the parabolic bands when the linear dispersion bands in TLG and MLG host the same number of carriers. However, our numerical calculations indicate that the conductivity of TLG is smaller than that in MLG roughly by 20% when a moderate carrier doping drives the Fermi energy away from the Dirac point by at least 50 meV. To explain such a disagreement between the band structure and the conductivity, we find that the out-of-plane atomic vibration, i.e., the so-called $ZA$ phonon mode in the long-wavelength region, plays a critical role in limiting the conductivity of TLG due to the strong interband scattering. In contrast to MLG, such a $ZA$ phonon mode is completely decoupled from the electron-phonon scattering due to the symmetry incompatibility.

Weyl Semimetal States Generated Extraordinary Quasi‐Linear Magnetoresistance and Nernst Thermoelectric Power Factor in Polycrystalline NbP

AbstractUnsaturated and extremely large magnetoresistance (MR), as well as the giant Nernst effect, are intriguing transport phenomena in Weyl semimetals, which are technically appealing for potential applications in magneto‐electric sensors and transverse thermoelectric conversion. The prominent properties are originated from Weyl semimetal states, i.e., the coexistence of electron and hole pockets combined with linear band dispersion. However, previous studies have been focused on small‐sized single crystals, rendering the practical applications of Weyl semimetals. Here, it is reported an unsaturated, quasi‐linear MR as well as a very large Nernst power factor PFxy in the prepared centimeter‐sized and polycrystalline Weyl semimetal NbP. An extraordinary MR of ≈2 × 104% is observed below 60 K with a magnetic field up to 55 T and persists to elevated temperatures. The unusual quasi‐linear MR behavior is explained by the theory of classical linear MR arising from structural disorder. The polycrystalline NbP exhibits state‐of‐the‐art PFxy that reaches a maximum value of 74.81 μW cm–1 K–2 at 9 T and 220 K, which is 1.5 times larger than its longitudinal thermoelectric power factor PFxx. Given that polycrystalline Weyl semimetal, NbP is suitable for large‐scale production, the results pave the way for its practical applications in magneto‐electric sensors and transverse thermoelectric conversion.

Topological frequency shift of quantum oscillation in CaFeAsF

Guo, Alexandradinata, et al. have recently proposed that quantum-oscillation frequencies from Dirac/Weyl fermions exhibit a negative shift proportional to T2 because of the energy dependence of the effective mass peculiar to a linear band-dispersion. We have measured Shubnikov–de Haas oscillation in CaFeAsF up to T = 9 K. The frequency of the α Dirac electron exhibits a negative shift with increasing T, while that of the β Schrödinger hole does not. For T ⩾ 5 K where β is negligible, the α-frequency shift is proportional to T2 and its rate agrees with the theoretical prediction within experimental accuracy. At lower temperatures, the shifts of α and β deviate from theoretical expectations, which we ascribe to the inaccuracy in the frequency determination due to unfavorable interference between frequencies. Our results confirm that the topological frequency shift can be utilized to identify Dirac/Weyl fermions when quantum-oscillation frequencies can be determined accurately.

Band structures of edge magnetoplasmon crystals

A two-dimensional electron gas in a static external magnetic field exhibits two distinct collective excitation modes. The lower frequency mode propagates along the periphery of the domain almost freely with an extended lifetime, which is referred to as edge magnetoplasmons. Peculiar phenomena caused by a capacitive interaction between nearest-neighbor domains are known, such as the emergence of Tomonaga-Luttinger liquid and charge-density fractionalization. Meanwhile, the number of coupled domains investigated in the past has been limited to a small number. Here, we performed calculations using a continuum model of edge magnetoplasmons, the band structures of planar crystals composed of an arbitrary number of domains, including a chain, ladder, and honeycomb network, with the general interaction strength. We explain the band structures in terms of the fundamental collective modes of a molecule composed of two equivalent domains. These are the extended chiral propagation modes that yield a linear dispersion band and the standing wave modes localized in the coupled regions that cause a flat band. The chain's band structures resemble the miniband structures calculated from the Kronig-Penney model for the electron in a semiconductor superlattice. We point out that a geometrical deformation of the chain does not change the band structures as it can be expressed as a gauge degree of freedom that only causes a shift in the wave number.