اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدFilling-Enforced Obstructed Atomic Insulators
131
0
0.0
(
0
)
اسأل ChatGPT حول البحث
ﻻ يوجد ملخص باللغة العربية
Topological band theory has achieved great success in the high-throughput search for topological band structures both in paramagnetic and magnetic crystal materials. However, a significant proportion of materials are topologically trivial insulators at the Fermi level. In this paper, we show that, remarkably, for a subset of the topologically trivial insulators, knowing only their electron number and the Wyckoff positions of the atoms we can separate them into two groups: the obstructed atomic insulator (OAI) and the atomic insulator (AI). The interesting group, the OAI, have a center of charge not localized on the atoms. Using the theory of topological quantum chemistry, in this work we first derive the necessary and sufficient conditions for a topologically trivial insulator to be a filling enforced obstructed atomic insulator (feOAI) in the 1651 Shubnikov space groups. Remarkably, the filling enforced criteria enable the identification of obstructed atomic bands without knowing the representations of the band structures. Hence, no ab-initio calculations are needed for the filling enforced criteria, although they are needed to obtain the band gaps. With the help of the Topological Quantum Chemistry website, we have performed a high-throughput search for feOAIs and have found that 957 ICSD entries (638 unique materials) are paramagnetic feOAIs, among which 738 (475) materials have an indirect gap. The metallic obstructed surface states of feOAIs are also showcased by several material examples.
قيم البحث
اقرأ أيضاً
Using light to manipulate materials into desired states is one of the goals in condensed matter physics, since light control can provide ultrafast and environmentally-friendly photonics devices. However, it is generally difficult to realise a photo-i
nduced phase which is not merely a higher entropy phase corresponding to a high-temperature phase at equilibrium. Here, we report realization of photo-induced insulator-to-metal transitions in Ta2Ni(Se1-xSx)5 including the excitonic insulator phase using time- and angle-resolved photoemission spectroscopy. From the dynamic properties of the system, we determine that screening of excitonic correlations plays a key role in the timescale of the transition to the metallic phase, which supports the existence of an excitonic-insulator phase at equilibrium. The non-equilibrium metallic state observed unexpectedly in the direct-gap excitonic insulator opens up a new avenue to optical band engineering in electron-hole coupled systems.
By combined top- and backgating, we explore the correlation of superconductivity with band filling and electron confinement at the LaAlO$_3$-SrTiO$_3$ interface. We find that the top- and backgate voltages have distinctly different effects on the sup
erconducting critical temperature, implying that the confining potential well has a profound effect on superconductivity. We investigate the origin of this behavior by comparing the gate-dependence of $T_c$ to the corresponding evolution of the band filling with gate voltage. For several backgate voltages, we observe maximum $T_c$ to consistently coincide with a kink in tuning the band filling for high topgate voltage. Self-consistent Schrodinger-Poisson calculations relate this kink to a Lifshitz transition of the second $d_{xy}$ subband. These results establish a major role for confinement-induced subbands in the phase diagram of SrTiO$_3$ surface states, and establish gating as a means to control the relative energy of these states.
The unique surface edge states make topological insulators a primary focus among different applications. In this article, we synthesized a large single crystal of Niobium(Nb)-doped Bi2Se3 topological insulator (TI) with a formula Nb0.25Bi2Se3. The si
ngle crystal has characterized by using various techniques such as Powder X-ray Diffractometer (PXRD), DC magnetization measurements, Raman, and Ultrafast transient absorption spectroscopy (TRUS). There are (00l) reflections in the PXRD, and Superconductivity ingrown crystal is evident from clearly visible diamagnetic transition at 2.5K in both FC and ZFC measurements. The Raman spectroscopy is used to find the different vibrational modes in the sample. Further, the sample is excited by a pump of 1.90 eV, and a kinetic decay profile at 1.38 eV is considered for terahertz analysis. The differential decay profile has different vibrations, and these oscillations have analyzed in terms of terahertz. This article not only provides evidence of terahertz generation in Nb-doped sample along with undoped sample but also show that the dopant atom changes the dynamics of charge carriers and thereby the shift in the Terahertz frequency response. In conclusion, a suitable dopant can be used as a processor for the tunability of terahertz frequency in TI.
Twisted double bilayer graphene has recently emerged as an interesting moire material that exhibits strong correlation phenomena that are tunable by an applied electric field. Here we study the atomic and electronic properties of three different grap
hene double bilayers: double bilayers composed of two AB stacked bilayers (AB/AB), double bilayers composed of two AA stacked bilayers (AA/AA) as well as heterosystems composed of one AB and one AA bilayer (AB/AA). The atomic structure is determined using classical force fields. We find that the inner layers of the double bilayer exhibit significant in-plane and out-of-plane relaxations, similar to twisted bilayer graphene. The relaxations of the outer layers depend on the stacking: atoms in AB bilayers follow the relaxations of the inner layers, while atoms in AA bilayers attempt to avoid higher-energy AA stacking. For the relaxed structures, we calculate the electronic band structures using the tight-binding method. All double bilayers exhibit flat bands at small twist angles, but the shape of the bands depends sensitively on the stacking of the outer layers. To gain further insight, we study the evolution of the band structure as the outer layers are rigidly moved away from the inner layers, while preserving their atomic relaxations. This reveals that the hybridization with the outer layers results in an additional flattening of the inner-layer flat band manifold. Our results establish AA/AA and AB/AA twisted double bilayers as interesting moire materials with different flat band physics compared to the widely studied AB/AB system.
We consider the extent to which symmetry eigenvalues reveal the topological character of bands. Specifically, we compare distinct atomic limit phases (band representations) that share the same irreducible representations (irreps) at all points in the
Brillouin zone and, therefore, appear equivalent in a classification based on eigenvalues. We derive examples where such irrep-equivalent phases can be distinguished by a quantized Berry phase or generalization thereof. These examples constitute a generalization of the Su-Schrieffer-Heeger chain: neither phase is topological, in the sense that localized Wannier functions exist, yet there is a topological obstruction between them. We refer to two phases as Berry obstructed atomic limits if they have the same irreps, but differ by Berry phases. This is a distinct notion from eigenvalue obstructed atomic limits, which differ in their symmetry irreps at some point in the Brillouin zone. We compute exhaustive lists of elementary band representations that are irrep-equivalent, in all space groups, with and without time-reversal symmetry and spin-orbit coupling, and use group theory to derive a set of necessary conditions for irrep-equivalence. Finally, we conjecture, and in some cases prove, that irrep-equivalent elementary band representations that are not equivalent can be distinguished by a topological invariant.
سجل دخول لتتمكن من نشر تعليقات
التعليقات
جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
