Hole-like Fermi Surface Research Articles

Anisotropic positive linear and sub-linear magnetoresistivity in the cubic type-II Dirac metal Pd3In7

We report a transport study on Pd3In7 which displays multiple Dirac type-II nodes in its electronic dispersion. Pd3In7 is characterized by low residual resistivities and high mobilities, which are consistent with Dirac-like quasiparticles. For an applied magnetic field (μ0H) having a non-zero component along the electrical current, we find a large, positive, and linear in μ0H longitudinal magnetoresistivity (LMR). The sign of the LMR and its linear dependence deviate from the behavior reported for the chiral-anomaly-driven LMR in Weyl semimetals. Interestingly, such anomalous LMR is consistent with predictions for the role of the anomaly in type-II Weyl semimetals. In contrast, the transverse or conventional magnetoresistivity (CMR for electric fields E⊥μ0H) is large and positive, increasing by 103−104 % as a function of μ0H while following an anomalous, angle-dependent power law {rho }_{{{{rm{xx}}}}}propto {({mu }_{0}H)}^{n} with n(θ) ≤ 1. The order of magnitude of the CMR, and its anomalous power-law, is explained in terms of uncompensated electron and hole-like Fermi surfaces characterized by anisotropic carrier scattering likely due to the lack of Lorentz invariance.

Anisotropic transport and multiple topology in quasi-one-dimensional ternary telluride NbNiTe5

Topological quantum materials, which feature nontrivial band topology, have been one of the most attractive research topics in condensed-matter physics in recent decades. The low-dimensional topologically nontrivial materials are especially appealing due to the rich implications for topological physics and the potential applications in next-generation spintronic devices. Here, we report the crystal growth, anisotropic magnetotransport, Hall effect, and quantum de Haas--van Alphen (dHvA) oscillations of a quasi-one-dimensional ternary telluride ${\mathrm{NbNiTe}}_{5}$. The pronounced dHvA oscillations under $H\ensuremath{\parallel}b$ reveal three major oscillation frequencies ${F}_{\ensuremath{\alpha}}=136.41\phantom{\rule{0.16em}{0ex}}\mathrm{T}, {F}_{\ensuremath{\beta}}=240.34\phantom{\rule{0.16em}{0ex}}\mathrm{T}$, and ${F}_{\ensuremath{\gamma}}=708.03$ T and the associated light effective masses of charge carriers. From the angular dependence of dHvA oscillations, we have revealed the identified frequencies exhibit anisotropic character, all of which arise from the holelike Fermi surface sheets formed by band 1 (${F}_{\ensuremath{\alpha}}$ and ${F}_{\ensuremath{\beta}}$) and band 2 (${F}_{\ensuremath{\gamma}}$) by comparing with the Fermi surface calculations. First-principles calculations demonstrate that ${\mathrm{NbNiTe}}_{5}$ is a candidate of multiple topological material. In addition to the nonsymmorphic symmetry-protected nodal lines and band inversion (anticrossing) induced topological surface states, a ladder of topological gaps with the coexistence of strong and weak topology and a series of induced topological surface states are also identified.

Spin and orbital metallic magnetism in rhombohedral trilayer graphene

We provide a complete theoretical interpretation of the metallic broken spin/valley symmetry states recently discovered in ABC trilayer graphene (ABC) perturbed by a large transverse displacement field. Our conclusions combine insights from ABC trilayer graphene electronic structure models and mean field theory, and are guided by precise magneto-oscillation Fermi-surface-area measurements. We conclude that the physics of ABC trilayer graphene is shaped by the principle of momentum-space condensation, which favors Fermi surface reconstructions enabled by broken spin/valley flavor symmetries when the single-particle bands imply thin annular Fermi seas. We find one large outer Fermi surface enclosed majority-flavor states and one or more small inner hole-like Fermi surfaces enclosed minority-flavor states that are primarily responsible for nematic order. The smaller surfaces can rotate along a ring of van-Hove singularities or reconstruct into multiple Fermi surfaces with little cost in energy. We propose that the latter property is responsible for the quantum oscillation frequency fractionalization seen experimentally in some regions of the carrier-density/displacement-field phase diagram.

Electronic and crystal structures of α- and β- gold selenides

Recent discoveries of two-dimensional (2D) materials are of significant relevance for basic research and the creation of new electronic devices. Crystal and electronic structures have been studied extensively on unexplored 2D gold selenide (AuSe) using ab-initio density functional theory. AuSe exists primarily in two phases: α- and β-AuSe. Our ground-state calculations show that the β-AuSe phase should be more stable than the α-AuSe phase. The small energy difference (∼16 meV) between these two phases allows them to interchange from α- to β-AuSe or vice-versa under different external thermodynamic conditions. We found that α-AuSe is metallic, whereas β-AuSe is semiconductors with an indirect bandgap of ∼193 meV. Fermi surface calculations of metallic α-AuSe show that hole-like inter-penetrating cylindrical Fermi surfaces around Γ point, indicating the one-dimensional character along the b* direction. The calculated electron localization function demonstrates the nature of bonding and various shared-electron interactions in AuSe. It has been found that ionic bonding is significant among gold and selenium nuclei. Our results indicate the significance of 2D AuSe and thus encourage more experimental research.

Alkaline-Earth Metal Effects on Physical Properties of Ferromagnetic AVO3 (A = Ba, Sr, Ca, and Mg): Density Functional Theory Insights.

The effects of alkaline-earth metals on electronic, optical, thermodynamic, and physical properties of ferromagnetic AVO3 (A = Ba, Sr, Ca, and Mg) have been investigated by first-principles calculations within the GGA+U formalism based on density functional theory. The optimized structural parameters are in good agreement with the available experimental results that evaluate the reliability of our calculations. The cell and mechanical stability is discussed using the formation energy and Born stability criteria, respectively. The mechanical behaviors of AVO3 are discussed on the basis of the results of elastic constants, elastic moduli, Peierls stress, and Vickers hardness. The nature of the ductile–brittle transition of AVO3 compounds was confirmed by the values of Pugh’s ratio, Poisson’s ratio, and Cauchy pressure. The electronic band structures, as well as density of states, reveal the half-metallic behavior of BaVO3 and SrVO3. However, CaVO3 and MgVO3 exhibit spin-gapless and magnetic semiconductor characteristics, respectively. The microscopic origin of the transition from the half-metallic to semiconductor nature of AVO3 is rationalized using electronic properties. The presence of covalent, ionic, and metallic bonds in AVO3 compounds is found by the analysis of bonding properties. The single-band nature of half-metallic AVO3 is seen by observing hole-like Fermi surfaces in this study. Furthermore, the various thermodynamic and optical properties are calculated and analyzed. The refractive index suggests that AVO3 could be a potential candidate for applications to high-density optical data storage devices.

Electronic structure of higher-order Ruddlesden-Popper nickelates

We analyze the electronic structure of the recently synthesized higher-order nickelate Ruddlesden-Popper phases ${\mathrm{La}}_{n+1}{\mathrm{Ni}}_{n}{\mathrm{O}}_{3n+1}$ $(n=4--6)$ using first-principles calculations. For all materials, our results show large holelike Fermi surfaces with ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$ character that closely resemble those of optimally hole-doped cuprates. For higher values of $n$, extra non-cuprate-like bands of ${d}_{{z}^{2}}$ orbital character appear. These aspects highlight that this Ruddlesden-Popper series can provide a means to modify the electronic ground states of nickelates by tuning their dimensionality. With their similarities and differences to the cuprates, this new family of materials can potentially shed light on the physics of copper-based oxides.

Topological pseudogap in highly polarizable layered systems with 2D hole-like dispersion

Pseudogap in hole-doped cuprate superconductors is acknowledged as a possible key to understanding their ground normal state, however, existing pseudogap models have essential inconsistencies with experiments. In our approach pseudogap emerges due to impact of autolocalized carriers on stationary states of delocalized ones and topology of the 2D hole-like dispersion. Autolocalized carriers create potential which transforms Bloch quasiparticles into distributed wave packets (DWPs) with different momentums in areas with different potential. Topology of hole-like constant energy curves in 2D-conducting cuprates forbids DWPs with average momentums near antinode. Manifestation of permitted DWPs in ARPES spectra demonstrates all known pseudogap features including midpoint shift, giant broadening and Fermi momentum misalignment. Calculated doping dependence of the pseudogap width and onset temperature agrees with experiments. The obtained ground normal state of the hole-doped cuprates, in which all the doped holes are autolocalized until high doping is reached and near-antinodal electron DWPs are absent, explains Fermi surface reconstruction from small electron pocket to large hole-like Fermi surface observed in quantum oscillation measurements. Our results open a possibility of creating systems with artificial pseudogap and switchable density of states on the base of highly polarizable layered structures with 2D conductivity and hole-like dispersion.

Electronic structure examination of the topological properties of CaMnSb2 by angle-resolved photoemission spectroscopy

We have carried out detailed high resolution ARPES measurements and band structure calculations to study the electronic structure of CaMnSb$_{2}$. The observed Fermi surface mainly consists of one hole pocket around ${\Gamma}$ point and one tiny hole pocket at Y point. Strong spectral weight accumulation along the ${\Gamma}$-X direction is observed on the hole-like Fermi surface around ${\Gamma}$ point, suggesting strong anisotropy of the density of states along the Fermi surface. The tiny hole pocket at Y point originates from an anisotropic Dirac-like band with the crossing point of the linear bands lying $\sim$ 10 meV above the Fermi level. These observations are in a good agreement with the band structure calculations. In addition, we observe additional features along the ${\Gamma}$-Y line that cannot be accounted for by the band structure calculations. Our results provide important information in understanding and exploration of novel properties in CaMnSb$_{2}$ and related materials.

Fermi surface in La-based cuprate superconductors from Compton scattering imaging

Compton scattering provides invaluable information on the underlying Fermi surface (FS) and is a powerful tool complementary to angle-resolved photoemission spectroscopy and quantum oscillation measurements. Here we perform high-resolution Compton scattering measurements for La2−xSrxCuO4 with x = 0.08 (Tc = 20 K) at 300 K and 150 K, and image the momentum distribution function in the two-dimensional Brillouin zone. We find that the observed images cannot be reconciled with the conventional hole-like FS believed so far. Instead, our data imply that the FS is strongly deformed by the underlying nematicity in each CuO2 plane, but the bulk FSs recover the fourfold symmetry. We also find an unusually strong temperature dependence of the momentum distribution function, which may originate from the pseudogap formation in the presence of the reconstructed FSs due to the underlying nematicity. Additional measurements for x = 0.15 and 0.30 at 300 K suggest similar FS deformation with weaker nematicity, which nearly vanishes at x = 0.30.

Hole-like Fermi surface in the overdoped non-superconducting Bi1.8 Pb0.4 Sr2CuO6+δ

In high-temperature cuprate superconductors, the anti-ferromagnetic spin fluctuations are thought to have a very important role in naturally producing an attractive interaction between the electrons in the d-wave channel. The connection between superconductivity and spin fluctuations is expected to be especially consequential at the overdoped end point of the superconducting dome. In some materials, that point seems to coincide with a Lifshitz transition, where the Fermi surface changes from the hole-like centered at to the electron-like, centered at the Γ point causing a loss of large momentum anti-ferromagnetic fluctuations. Here, we study the doping dependence of the electronic structure of Bi1.8Pb0.4Sr2CuO in angle-resolved photoemission and find that the superconductivity vanishes at lower doping than that at which the Lifshitz transition occurs. This requires a more detailed re-examination of a spin fluctuation scenario.

Lifshitz transition underlying the metamagnetic transition of UPt3

Comparing quantum oscillation measurements, dc magnetoresistance measurements, and Fermi surfaces obtained from LDA calculations, we argue that the metamagnetic transition of UPt3, which occurs at an applied field μ ◦ H M ∼ 20 T, coincides with a Lifshitz transition at which an open orbit on the band 2 hole-like Fermi surface becomes closed for one spin direction. At low field, proximity of the Fermi energy to this particular van Hove singularity may have implications for the superconducting pairing potential of UPt3. In our picture the magnetization comes from non-linear spin-splitting of the heavy fermion bands. In support of this, we show that the non-linear field dependence of a particular quantum oscillation frequency can be fitted by assuming that the corresponding extremal Fermi surface area is proportional to the magnetization. In addition, below H M , we find in our LDA calculations a new, non-central orbit on band 1, whose non-linear behaviour explains a field-dependent frequency recently observed in magnetoacoustic quantum oscillation measurements.

Pressure induced Lifshitz transition in ThFeAsN

In this paper, we present pressure dependent structural parameters and electronic structure of the ThFeAsN superconductor. There are no anomalies in the structural parameters as well as elastic constants with hydrostatic pressure which is consistent with the experiments. We study the electronic structure of this compound at different external pressures in terms of density of states, band structure, and Fermi surface. Density of states at the Fermi level, coming from $\mathrm{Fe}\text{\ensuremath{-}}d$ orbitals, follows the same trend as that of the superconducting transition temperature $({T}_{c})$ as a function of hydrostatic pressure. We also observe a pressure induced orbital selective Lifshitz transition in ThFeAsN compound which is quite different from the Lifshitz transitions observed in the other families of Fe-based superconductors. Fermi surfaces of ThFeAsN especially holelike Fermi surfaces at the $\mathrm{\ensuremath{\Gamma}}$ point are altered significantly with pressure. This modification of Fermi surface topology with pressure seems to play a major role in the reduction of ${T}_{c}$ with pressure in ThFeAsN superconductor. Spin-orbit coupling does not affect the Lifshitz transition but it modifies the energy ordering of bands near the $\mathrm{\ensuremath{\Gamma}}$ point at higher pressure.

Spectroscopic Evidence for an Additional Symmetry Breaking in the Nematic State of FeSe Superconductor

The iron-based superconductor FeSe has attracted much recent attention because of its simple crystal structure, distinct electronic structure and rich physics exhibited by itself and its derivatives. Determination of its intrinsic electronic structure is crucial to understand its physical properties and superconductivity mechanism. Both theoretical and experimental studies so far have provided a picture that FeSe consists of one hole-like Fermi surface around the Brillouin zone center in its nematic state. Here we report direct observation of two hole-like Fermi surface sheets around the Brillouin zone center, and the splitting of the associated bands, in the nematic state of FeSe by taking high resolution laser-based angle-resolved photoemission measurements. These results indicate that, in addition to nematic order and spin-orbit coupling, there is an additional order in FeSe that breaks either inversion or time reversal symmetries. The new Fermi surface topology asks for reexamination of the existing theoretical and experimental understanding of FeSe and stimulates further efforts to identify the origin of the hidden order in its nematic state.

Electronically driven spin-reorientation transition of the correlated polar metal Ca3Ru2O7

The interplay between spin-orbit coupling and structural inversion symmetry breaking in solids has generated much interest due to the nontrivial spin and magnetic textures which can result. Such studies are typically focused on systems where large atomic number elements lead to strong spin-orbit coupling, in turn rendering electronic correlations weak. In contrast, here we investigate the temperature-dependent electronic structure of [Formula: see text], a [Formula: see text] oxide metal for which both correlations and spin-orbit coupling are pronounced and in which octahedral tilts and rotations combine to mediate both global and local inversion symmetry-breaking polar distortions. Our angle-resolved photoemission measurements reveal the destruction of a large hole-like Fermi surface upon cooling through a coupled structural and spin-reorientation transition at 48 K, accompanied by a sudden onset of quasiparticle coherence. We demonstrate how these result from band hybridization mediated by a hidden Rashba-type spin-orbit coupling. This is enabled by the bulk structural distortions and unlocked when the spin reorients perpendicular to the local symmetry-breaking potential at the Ru sites. We argue that the electronic energy gain associated with the band hybridization is actually the key driver for the phase transition, reflecting a delicate interplay between spin-orbit coupling and strong electronic correlations and revealing a route to control magnetic ordering in solids.

Spectroscopic evidence of bilayer splitting and strong interlayer pairing in the superconductor KCa2Fe4As4F2

In high temperature cuprate superconductors, the interlayer coupling between the CuO$_2$ planes plays an important role in dictating superconductivity, as indicated by the sensitive dependence of the critical temperature (T$_C$) on the number of CuO$_2$ planes in one structural unit. In Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ superconductor with two CuO$_2$ planes in one structural unit, the interaction between the two CuO$_2$ planes gives rise to band splitting into two Fermi surface sheets (bilayer splitting) that have distinct superconducting gap. The iron based superconductors are composed of stacking of the FeAs/FeSe layers; whether the interlayer coupling can cause similar band splitting and its effect on superconductivity remain unclear. Here we report high resolution laser-based angle-resolved photoemission spectroscopy (ARPES) measurements on a newly discovered iron based superconductor, KCa$_2$Fe$_4$As$_4$F$_2$ (T$_C$=33.5\,K) which consists of stacking FeAs blocks with two FeAs layers separated by insulating Ca$_2$F$_2$ blocks. Bilayer splitting effect is observed for the first time that gives rise to totally five hole-like Fermi surface sheets around the Brilliouin zone center. Band structure calculations reproduce the observed bilayer splitting by identifying interlayer interorbital interaction between the two FeAs layers within one FeAs block. All the hole-like pockets around the zone center exhibit Fermi surface-dependent and nodeless superconducting gap. The gap functions with short-range antiferromagetic fluctuations are proposed and the gap symmetry can be well understood when the interlayer pairing is considered. The particularly strong interlayer pairing is observed for one of the bands. Our observations provide key information on the interlayer coupling and interlayer pairing in understanding superconductivity in iron based superconductors.

Interplay of structure and charge order revealed by quantum oscillations in thin films of Pr2CuO4±δ

For both electron- and hole-doped cuprates, superconductivity appears in the vicinity of suppressed broken symmetry order, suggesting that quantum criticality plays a vital role in the physics of these systems. A confounding factor in identifying the role of quantum criticality in the electron-doped systems is the competing influence of chemical doping and oxygen stoichiometry. Using high quality thin films of Pr$_{2}$CuO$_{4\pm\delta}$, we tune superconductivity and uncover the influence of quantum criticality without Ce substitution. We observe magnetic quantum oscillations that are consistent with the presence of small hole-like Fermi surface pockets, and a large mass enhancement near the suppression of superconductivity. Tuning these materials using only oxygen stoichiometry allows the observation of quantum oscillations and provides a new axis with which to explore the physics underlying the electron-doped side of the cuprate phase diagram.

Superconductivity in Uncollapsed Tetragonal LaFe2As2.

We report synthesis, crystal structure, and superconductivity in ThCr2Si2-type LaFe2As2 (La122). La122 was synthesized at 960 °C for 1.5 h under a pressure of 3.4 GPa. An as-synthesized La122 (nonsuperconductor) had a collapsed tetragonal structure with a short c-axis length of 11.0144(4) Å as observed in CaFe2As2 under pressure. The collapsed tetragonal structure transformed into an uncollapsed tetragonal structure by annealing the as-synthesized La122 at 500 °C. The c-axis length remarkably extended to 11.7317(4) Å, and superconductivity emerged at 12.1 K in the uncollapsed tetragonal La122. A cylindrical hole-like Fermi surface around the Γ point that plays an important role for an s± wave pairing in iron-based superconductors was missing in the uncollapsed tetragonal La122 because of heavy electron doping. Superconductivity in La122 may be closely related to that induced in CaFe2As2 under pressure.

Disappearance of Superconductivity and a Concomitant Lifshitz Transition in Heavily Overdoped Bi2Sr2CuO6 Superconductor Revealed by Angle-Resolved Photoemission Spectroscopy**Supported by the National Key Research and Development Program of China under Grant Nos 2016YFA0300300 and 2017YFA0302900, the Strategic Priority Research Program (B) of Chinese Academy of Sciences under Grant Nos XDB07020300 and XDB25000000, the National Basic Research Program of China under Grant

By partially doping Pb to effectively suppress the superstructure in single-layered cuprate Bi2Sr2CuO6+δ (Pb-Bi2201) and annealing them in vacuum or in high pressure oxygen atmosphere, a series of high quality Pb-Bi2201 single crystals are obtained with Tc covering from 17 K to non-superconducting in the overdoped region. High resolution angle resolved photoemission spectroscopy measurements are carried out on these samples to investigate the evolution of the Fermi surface topology with doping in the normal state. Clear and complete Fermi surfaces are observed and quantitatively analyzed in all of these overdoped Pb-Bi2201 samples. A Lifshitz transition from hole-like Fermi surface to electron-like Fermi surface with increasing doping is observed at a doping level of ∼0.35. This transition coincides with the change that the sample undergoes superconducting-to-non-superconducting states. Our results reveal the emergence of an electron-like Fermi surface and the existence of a Lifshitz transition in heavily overdoped Bi2201 samples. This provides important information in understanding the connection between the disappearance of superconductivity and the Lifshitz transition in the overdoped region.

Emergence of superconductivity from fully incoherent normal state in an iron-based superconductor (Ba0.6K0.4)Fe2As2

In unconventional superconductors, it is generally believed that understanding the physical properties of the normal state is a pre-requisite for understanding the superconductivity mechanism. In conventional superconductors like niobium or lead, the normal state is a Fermi liquid with a well-defined Fermi surface and well-defined quasipartcles along the Fermi surface. Superconductivity is realized in this case by the Fermi surface instability in the superconducting state and the formation and condensation of the electron pairs (Cooper pairing). The high temperature cuprate superconductors, on the other hand, represent another extreme case that superconductivity can be realized in the underdoped region where there is neither well-defined Fermi surface due to the pseudogap formation nor quasiparticles near the antinodal regions in the normal state. Here we report a novel scenario that superconductivity is realized in a system with well-defined Fermi surface but without quasiparticles along the Fermi surface in the normal state. High resolution laser-based angle-resolved photoemission measurements have been performed on an optimally-doped iron-based superconductor (Ba0.6K0.4)Fe2As2. We find that, while sharp superconducting coherence peaks emerge in the superconducting state on the hole-like Fermi surface sheets, no quasiparticle peak is present in the normal state. Its electronic behaviours deviate strongly from a Fermi liquid system. The superconducting gap of such a system exhibits an unusual temperature dependence that it is nearly a constant in the superconducting state and abruptly closes at Tc. These observations have provided a new platform to study unconventional superconductivity in a non-Fermi liquid system.

Detailed electronic structure of three-dimensional Fermi surface and its sensitivity to charge density wave transition in ZrTe3 revealed by high resolution laser-based angle-resolved photoemission spectroscopy**Project supported by the National Basic Research Program of China (Grant No. 2015CB921301), the National Natural Science Foundation of China (Grant Nos. 11574360, 11534007, and 11334010), and the Strategic Priority Research Program (B) of the Chinese

The detailed information of the electronic structure is the key to understanding the nature of charge density wave (CDW) order and its relationship with superconducting order in the microscopic level. In this paper, we present a high resolution laser-based angle-resolved photoemission spectroscopy (ARPES) study on the three-dimensional (3D) hole-like Fermi surface around the Brillouin zone center in a prototypical quasi-one-dimensional CDW and superconducting system ZrTe3. Double Fermi surface sheets are clearly resolved for the 3D hole-like Fermi surface around the zone center. The 3D Fermi surface shows a pronounced shrinking with increasing temperature. In particular, the quasiparticle scattering rate along the 3D Fermi surface experiences an anomaly near the charge density wave transition temperature of ZrTe3 (∼63 K). The signature of electron–phonon coupling is observed with a dispersion kink at ∼20 meV; the strength of the electron–phonon coupling around the 3D Fermi surface is rather weak. These results indicate that the 3D Fermi surface is also closely connected to the charge-density-wave transition and suggest a more global impact on the entire electronic structure induced by the CDW phase transition in ZrTe3.