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- ItemEvidence of two-dimensional flat band at the surface of antiferromagnetic kagome metal FeSn([London] : Nature Publishing Group UK, 2021) Han, Minyong; Inoue, Hisashi; Fang, Shiang; John, Caolan; Ye, Linda; Chan, Mun K.; Graf, David; Suzuki, Takehito; Ghimire, Madhav Prasad; Cho, Won Joon; Kaxiras, Efthimios; Checkelsky, Joseph G.The kagome lattice has long been regarded as a theoretical framework that connects lattice geometry to unusual singularities in electronic structure. Transition metal kagome compounds have been recently identified as a promising material platform to investigate the long-sought electronic flat band. Here we report the signature of a two-dimensional flat band at the surface of antiferromagnetic kagome metal FeSn by means of planar tunneling spectroscopy. Employing a Schottky heterointerface of FeSn and an n-type semiconductor Nb-doped SrTiO3, we observe an anomalous enhancement in tunneling conductance within a finite energy range of FeSn. Our first-principles calculations show this is consistent with a spin-polarized flat band localized at the ferromagnetic kagome layer at the Schottky interface. The spectroscopic capability to characterize the electronic structure of a kagome compound at a thin film heterointerface will provide a unique opportunity to probe flat band induced phenomena in an energy-resolved fashion with simultaneous electrical tuning of its properties. Furthermore, the exotic surface state discussed herein is expected to manifest as peculiar spin-orbit torque signals in heterostructure-based spintronic devices.
- ItemPlethora of tunable Weyl fermions in kagome magnet Fe3Sn2 thin films([London] : Nature Publishing Group, 2022) Ren, Zheng; Li, Hong; Sharma, Shrinkhala; Bhattarai, Dipak; Zhao, He; Rachmilowitz, Bryan; Bahrami, Faranak; Tafti, Fazel; Fang, Shiang; Ghimire, Madhav Prasad; Wang, Ziqiang; Zeljkovic, IlijaInterplay of magnetism and electronic band topology in unconventional magnets enables the creation and fine control of novel electronic phenomena. In this work, we use scanning tunneling microscopy and spectroscopy to study thin films of a prototypical kagome magnet Fe3Sn2. Our experiments reveal an unusually large number of densely-spaced spectroscopic features straddling the Fermi level. These are consistent with signatures of low-energy Weyl fermions and associated topological Fermi arc surface states predicted by theory. By measuring their response as a function of magnetic field, we discover a pronounced evolution in energy tied to the magnetization direction. Electron scattering and interference imaging further demonstrates the tunable nature of a subset of related electronic states. Our experiments provide a direct visualization of how in-situ spin reorientation drives changes in the electronic density of states of the Weyl fermion band structure. Combined with previous reports of massive Dirac fermions, flat bands, and electronic nematicity, our work establishes Fe3Sn2 as an interesting platform that harbors an extraordinarily wide array of topological and correlated electron phenomena.
- ItemThe Weak 3D Topological Insulator Bi12Rh3Sn3I9(Weinheim : Wiley-VCH, 2020) Lê Anh, Mai; Kaiser, Martin; Ghimire, Madhav Prasad; Richter, Manuel; Koepernik, Klaus; Gruschwitz, Markus; Tegenkamp, Christoph; Doert, Thomas; Ruck, MichaelTopological insulators (TIs) gained high interest due to their protected electronic surface states that allow dissipation-free electron and information transport. In consequence, TIs are recommended as materials for spintronics and quantum computing. Yet, the number of well-characterized TIs is rather limited. To contribute to this field of research, we focused on new bismuth-based subiodides and recently succeeded in synthesizing a new compound Bi12Rh3Sn3I9, which is structurally closely related to Bi14Rh3I9 – a stable, layered material. In fact, Bi14Rh3I9 is the first experimentally supported weak 3D TI. Both structures are composed of well-defined intermetallic layers of ∞2[(Bi4Rh)3I]2+ with topologically protected electronic edge-states. The fundamental difference between Bi14Rh3I9 and Bi12Rh3Sn3I9 lies in the composition and the arrangement of the anionic spacer. While the intermetallic 2D TI layers in Bi14Rh3I9 are isolated by ∞1[Bi2I8]2− chains, the isoelectronic substitution of bismuth(III) with tin(II) leads to ∞2[Sn3I8]2− layers as anionic spacers. First transport experiments support the 2D character of this material class and revealed metallic conductivity. © 2020 The Authors. Published by Wiley-VCH GmbH
- ItemStructural stability, electronic, optical, and thermoelectric properties of layered perovskite Bi2LaO4I(London : RSC Publishing, 2022) Joshi, Radha K.; Bhandari, Shalika R.; Ghimire, Madhav PrasadLayered perovskites are an interesting class of materials due to their possible applications in microelectronics and optoelectronics. Here, by means of density functional theory calculations, we investigated the structural, elastic, electronic, optical, and thermoelectric properties of the layered perovskite Bi2LaO4I within the parametrization of the standard generalized gradient approximation (GGA). The transport coefficients were evaluated by adopting Boltzmann semi-classical theory and a collision time approach. The calculated elastic constants were found to satisfy the Born criteria, indicating that Bi2LaO4I is mechanically stable. Taking into account spin-orbit coupling (SOC), the material was found to be a non-magnetic insulator, with an energy bandgap of 0.82 eV (within GGA+SOC), and 1.85 eV (within GGA+mBJ+SOC). The optical-property calculations showed this material to be optically active in the visible and ultraviolet regions, and that it may be a candidate for use in optoelectronic devices. Furthermore, this material is predicted to be a potential candidate for use in thermoelectric devices due to its large value of power factor, ranging from 2811 to 7326 μW m−1 K−2, corresponding to a temperature range of 300 K to 800 K.
- ItemCreating Weyl nodes and controlling their energy by magnetization rotation(College Park, ML : American Physical Society, 2020) Ghimire, Madhav Prasad; Facio, Jorge I.; You, Jhih-Shih; Ye, Linda; Checkelsky, Joseph G.; Fang, Shiang; Kaxiras, Efthimios; Richter, Manuel; van den Brink, JeroenAs they do not rely on the presence of any crystal symmetry, Weyl nodes are robust topological features of an electronic structure that can occur at any momentum and energy. Acting as sinks and sources of Berry curvature, Weyl nodes have been predicted to strongly affect the transverse electronic response, like in the anomalous Hall or Nernst effects. However, to observe large anomalous effects the Weyl nodes need to be close to or at the Fermi level, which implies the band structure must be tuned by an external parameter, e.g., chemical doping. Here we show that in a ferromagnetic metal tuning of the Weyl node energy and momentum can be achieved by rotation of the magnetization. First, taking as example the elementary magnet hcp-Co, we use electronic structure calculations based on density-functional theory to show that by canting the magnetization away from the easy axis, Weyl nodes can be driven exactly to the Fermi surface. Second, we show that the same phenomenology applies to the kagome ferromagnet Co3Sn2S2, in which we additionally show how the dynamics in energy and momentum of the Weyl nodes affects the calculated anomalous Hall and Nernst conductivities. Our results highlight how the intrinsic magnetic anisotropy can be used to engineer Weyl physics.
- ItemElectronic, magnetic, optical and thermoelectric properties of Ca2Cr1−xNixOsO6 double perovskites(London : RSC Publishing, 2020) Bhandari, Shalika R.; Yadav, D.K.; Belbase, B.P.; Zeeshan, M.; Sadhukhan, B.; Rai, D.P.; Thapa, R.K.; Kaphle, G.C.; Ghimire, Madhav PrasadWith the help of density functional theory calculations, we explored the recently synthesized double perovskite material Ca2CrOsO6 and found it to be a ferrimagnetic insulator with a band gap of ∼0.6 eV. Its effective magnetic moment is found to be ∼0.23 μB per unit cell. The proposed behavior arises from the cooperative effect of spin–orbit coupling and Coulomb correlation of Cr-3d and Os-5d electrons along with the crystal field. Within the ferrimagnetic configuration, doping with 50% Ni in the Cr-sites resulted in a half-metallic state with a total moment of nearly zero, a characteristic of spintronic materials. Meanwhile, the optical study reveals that both ε1xx and ε1zz decrease first and then increase rapidly with increasing photon energy up to 1.055 eV. We also found optical anisotropy up to ∼14 eV, where the material becomes almost optically isotropic. This material has a plateau like region in the σxx and σzz parts of the optical conductivity due to a strong 3d–5d interband transition between Cr and Os. In addition, we performed thermoelectric calculations whose results predict that the material might not be good as a thermoelectric device due to its small power factor.