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Register a new userSignature of topological non-trivial band structure in Ta$_{3}$SiTe$_{6}$
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The study of topology protected electronic properties is a fascinating topic in present day condensed matter physics research. New topological materials are frequently being proposed and explored through various experimental techniques. Ta$_{3}$SiTe$_{6}$ is a newly predicted topological semimetal with fourfold degenerate nodal-line crossing in absence of spin-orbit coupling (SOC) and an hourglass Dirac loop, when SOC is included. Recent angle-resolved photoemission spectroscopy study in this material, has also confirmed Dirac like dispersions and two nodal-lines near the Fermi energy, protected by nonsymmorphic glide mirror symmetry. In this work, we present the detailed magnetotransport properties of single crystalline Ta$_{3}$SiTe$_{6}$. A nonsaturating magnetoresistance has been observed. Hall measurements reveal hole type charge carriers with high carrier density and a moderate value of carrier mobility. Furthermore, we report a robust planar Hall effect, which persists up to high temperatures. These results validate the nontrivial nature of the electronic band structure.
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In this article, we investigate non-trivial topological features in a heterostructure of extreme magnetoresistance (XMR) materials LaAs and LaBi using density functional theory (DFT). The proposed heterostructure is found to be dynamically stable and shows bulk band inversion with non-trivial Z_{2} topological invariant and a Dirac cone at the surface. In addition, its electron and hole carrier densities ratio is also calculated to investigate the possibility to possess XMR effect. Electrons and holes in the heterostructure are found to be nearly compensated, thereby facilitating it to be a suitable candidate for XMR studies.
We performed angle-resolved photoelectron spectroscopy of the Bi(111) surface to demonstrate that this surface support edge states of non-trivial topology. Along the $bar{Gamma}bar{M}$-direction of the surface Brillouin zone, a surface-state band disperses from the projected bulk valence bands at $bar{Gamma}$ to the conduction bands at $bar{M}$ continuously, indicating the non-trivial topological order of three-dimensional Bi bands. We ascribe this finding to the absence of band inversion at the $L$ point of the bulk Bi Brillouin zone. According to our analysis, a modification of tight-binding parameters can account for the non-trivial band structure of Bi without any other significant change on other physical properties.
Electrides, with their excess electrons distributed in crystal cavities playing the role of anions, exhibit a variety of unique electronic and magnetic properties. In this work, we employ the first-principles crystal structure prediction to identify a new prototype of A$_3$B electride in which both interlayer spacings and intralayer vacancies provide channels to accommodate the excess electrons in the crystal. This A$_3$B type of structure is calculated to be thermodynamically stable for two alkaline metals oxides (Rb$_3$O and K$_3$O). Remarkably, the unique feature of multiple types of cavities makes the spatial arrangement of anionic electrons highly flexible via elastic strain engineering and chemical substitution, in contrast to the previously reported electrides characterized by a single topology of interstitial electrons. More importantly, our first-principles calculations reveal that Rb$_3$O is a topological Dirac nodal line semimetal, which is induced by the Rb-$s$ $rightarrow$ O-$p$ band inversion at the general electronic k momentums in the Brillouin zone associated with the intersitial electric charges. The discovery of flexible electride in combining with topological electronic properties opens an avenue for electride design and shows great promises in electronic device applications.
The diamond and zinc-blende semiconductors are well-known and have been widely studied for decades. Yet, their electronic structure still surprises with unexpected topological properties of the valence bands. In this joint theoretical and experimental investigation we demonstrate for the benchmark compounds InSb and GaAs that the electronic structure features topological surface states below the Fermi energy. Our parity analysis shows that the spin-orbit split-off band near the valence band maximum exhibits a strong topologically non-trivial behavior characterized by the $mathcal{Z}_2$ invariants $(1;000)$. The non-trivial character emerges instantaneously with non-zero spin-orbit coupling, in contrast to the conventional topological phase transition mechanism. textit{Ab initio}-based tight-binding calculations resolve topological surface states in the occupied electronic structure of InSb and GaAs, further confirmed experimentally by soft X-ray angle-resolved photoemission from both materials. Our findings are valid for all other materials whose valence bands are adiabatically linked to those of InSb, i.e., many diamond and zinc-blende semiconductors, as well as other related materials, such as half-Heusler compounds.
The transverse Nernst Ettingshausen (N-E) effect and electron mobility in Pb$_{1-x}$Sn$_x$Se alloys are studied experimentally and theoretically as functions of temperature and chemical composition in the vicinity of vanishing energy gap $E_g$. The study is motivated by the recent discovery that, by lowering the temperature, one can change the band ordering from trivial to nontrivial one in which the topological crystalline insulator states appear at the surface. Our work presents several new aspects. It is shown experimentally and theoretically that the bulk N-E effect has a maximum when the energy gap $E_g$ of the mixed crystal goes through zero value. This result contradicts the claim made in the literature that the N-E effect changes sign when the gap vanishes. We successfully describe $dc$ transport effects in the situation of extreme bands nonparabolicity which, to the best of our knowledge, has never been tried before. A situation is reached in which both two-dimensional bands (topological surface states) and three-dimensional bands are linear in electron textbf{k} vector. Various scattering modes and their contribution to transport phenomena in Pb$_{1-x}$Sn$_x$Se are analyzed. As the energy gap goes through zero, some transport integrals have a singular (nonphysical) behaviour and we demonstrate how to deal with this problem by introducing damping.
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