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The interplay between linearly dispersing or Dirac-like, and flat electronic bands, for instance, in the kagome ferromagnets, has attracted attention due to a possible interplay between topology and electronic correlations. Here, we report…

We examined high-pressure electronic structure of a single-component molecular conductor [Pd(dddt)$_2$] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) at room temperature, based on the crystal structure determined by single crystal…

Materials Science · Physics 2020-12-02 Reizo Kato , Hengbo Cui , Takaaki Minamidate , Hamish H. -M. Yeung , Yoshikazu Suzumura

The band structure of cubic inverse perovskites, Ca_3PbO and its family, are investigated with the first-principles method. A close observation of the band structure reveals that six equivalent Dirac electrons with a very small mass exist…

Materials Science · Physics 2011-08-19 Toshikaze Kariyado , Masao Ogata

We report the crystal structure of a new polymorph of Ca$_3$P$_2$, and an analysis of its electronic structure. The crystal structure was determined through Rietveld refinements of powder synchrotron x-ray diffraction data. Ca$_3$P$_2$ is…

Optical measurements and band structure calculations are reported on 3D Dirac materials. The electronic properties associated with the Dirac cone are identified in the reflectivity spectra of Cd$_3$As$_2$ and Na$_3$Bi single crystals. In…

Electronic band structures in solids stem from a periodic potential reflecting the structure of either the crystal lattice or an electronic order. In the stoichiometric ruthenate Ca$_3$Ru$_2$O$_7$, numerous Fermi surface sensitive probes…

Using angle-resolved photoelectron spectroscopy we investigate the surface electronic structure of the three-dimensional topological insulator (TI) Sb2Te3(0001). Our data show the presence of a topological surface state in the bulk energy…

We study the electronic and transport properties of a graphene-based superlattice theoretically by using an effective Dirac equation. The superlattice consists of a periodic potential applied on a single-layer graphene deposited on a…

Mesoscale and Nanoscale Physics · Physics 2015-02-26 Jonas R. F. Lima

We have investigated the surface and bulk electronic structures of the superconducting type-II Dirac semimetal 1T-PdSeTe. The superconducting transition temperature $T_C = 3.2$ K was almost twice as high as $T_C = 1.6$ K in 1T-PdTe$_2$.…

We report a theoretical \textit{ab-initio} study of $\beta$-As$_2$Te$_3$ ($R\bar{3}m$ symmetry) at hydrostatic pressures up to 12 GPa. We have systematically characterized the vibrational and electronic changes of the system induced by the…

Although, the long-standing debate on the resistivity anomaly in ZrTe$_{5}$ somewhat comes to an end, the exact topological nature of the electronic band structure remains elusive till today. Theoretical calculations predicted that bulk…

Materials Science · Physics 2017-01-10 Arnab Pariari , Prabhat Mandal

By means of ternary chemical potential phase diagram and phonon spectrum calculations, we propose that $M$Tl$_4$Te$_3$ ($M$ = Cd, Hg), the derivatives of Tl$_5$Te$_3$, are thermodynamically and dynamically stable in the body centered…

Materials Science · Physics 2022-10-11 Ying Li , Gang Xu

The identification of novel multifunctional Dirac materials has been an ongoing effort. In this connection quasi 2-dimensional (BEDT-TTF)-based charge transfer salts are widely discussed. Here, we report about the electronic structure of…

Materials Science · Physics 2018-08-29 R. Matthias Geilhufe , Benjamin Commeau , Gayanath W. Fernando

By band engineering the iron chalcogenide Fe(Se,Te) via ab-initio calculations, we search for topological surface states and realizations of Majorana bound states. Proposed topological states are expected to occur for non-stoichiometric…

Materials Science · Physics 2020-09-02 Lars Lauke , Rolf Heid , Michael Merz , Thomas Wolf , Amir-Abbas Haghighirad , Jörg Schmalian

We have investigated the electronic structure of the transition metal oxide Ca3Ru2O7 within density functional theory using the generalized gradient approximation while considering strong Coulomb correlations in the framework of the fully…

Strongly Correlated Electrons · Physics 2024-04-22 V. N. Antonov , D. A. Kukusta , L. V. Bekenov

Novel phases of matter with unique properties that emerge from quantum and topological protection present an important thrust of modern research. Of particular interest is to engineer these phases on demand using ultrafast external stimuli,…

Strongly Correlated Electrons · Physics 2020-11-06 T. Konstantinova , L. Wu , W. -G. Yin , J. Tao , G. D. Gu , X. J. Wang , Jie Yang , I. A. Zaliznyak , Y. Zhu

We combined the group theory and data mining approach within the Organic Materials Database that leads to the prediction of stable Dirac-point nodes within the electronic band structure of 3-dimensional organic crystals. We find a…

Materials Science · Physics 2017-09-25 R. Matthias Geilhufe , Stanislav S. Borysov , Adrien Bouhon , Alexander V. Balatsky

Intermetallics are an important playground to stabilize a large variety of physical phenomena, arising from their complex crystal structure. The ease of their chemical tuneabilty makes them suitable platforms to realize targeted electronic…

New materials based on Kagome lattices, predicted to host exotic quantum physics because they can display flat electronic bands, Dirac cones and topologically nontrivial surface states, are strongly desired. Here we report the crystal…

Superconductivity · Physics 2021-11-09 Xin Gui , Robert J. Cava

Nodal line semimetals feature topologically protected band crossings between the bulk valence and conduction bands that extend along a finite dimension in the form of a line or a loop. While ZrSiS and similar materials have attracted…

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