Topological phase transition in bulk materials described by the coherent potential approximation technique

Chadov, Stanislav; Kiss, János; Kübler, J.; Felser, Claudia

doi:10.1002/pssr.201206395

Cited by 10 publications

(8 citation statements)

References 20 publications

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“…The adopted DFT-CPA scheme provides an alternative approach to well-established techniques, such as the fully relativistic KKR-CPA 42 43 44 , often based on local-density approximation. To cite some recent example, KKR-CPA was widely and successfully used to address the effects of resonant impurities states in PbTe 17 45 , the effects of disorder on the quantum criticality in NbFe 2 , and chemical instabilities in Ba 1− x K x Fe 2 As 2 46 47 .…”

Section: Methodsmentioning

confidence: 99%

Robustness of Rashba and Dirac Fermions against Strong Disorder

Sante

Barone

Plekhanov

et al. 2015

Sci Rep

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By addressing the interplay between substitutional disorder and spin-orbit-coupling in chalcogenide alloys, we predict a strong robustness of spectral features at the Fermi energy. Indeed, supplementing our state of the art first-principles calculations with modeling analysis, we show that the disorder self-energy is vanishingly small close to the band gap, thus i) allowing for bulk Rashba-like spin splitting to be observed in ferroelectric alloys by means of Angle Resolved PhotoEmission Spectroscopy, and ii) protecting the band-character inversion related to the topological transition in recently discovered Topological Crystalline Insulators. Such a protection against strong disorder, which we demonstrate to be general for three dimensional Dirac systems, has potential and valuable implications for novel technologies, as spintronics and/or spinorbitronics.

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Section: Methodsmentioning

confidence: 99%

Robustness of Rashba and Dirac Fermions against Strong Disorder

Sante

Barone

Plekhanov

et al. 2015

Sci Rep

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“…The presence of band inversion in the bulk is considered a necessary but not sufficient condition for the presence of a topological insulator phase [ 53 ]. To this end, adiabatic continuity arguments have emerged as a powerful tool to characterize the topological nature of materials through ab initio calculations, and they have been used to predict new TI phases [ 54 , 55 , 56 , 57 , 58 ]. The process involves connecting a known topological material to a new structure through a series of adiabatic changes.…”

Section: Resultsmentioning

confidence: 99%

“…While the presence of band-inversion in the bulk is considered a necessary condition for topological insulators, it does not on its own guarantee the presence of a topologically non-trivial phase 18 . To this end, adiabatic continuity arguments have emerged as a powerful tool to characterize the topological nature of materials through ab initio calculations, and have been used to predict new TI phases [46][47][48][49][50] . The process involves connecting a known topological material to a new structure through a series of adiabatic changes which include straining the crystalline lattice, tuning the strength of SOC, and modifying the nuclear charge of constituent atoms within the constraint of overall charge neutrality 18 .…”

Section: Adiabatic Continuity and Topological Surface Statesmentioning

confidence: 99%

Topological Anderson Insulator in Cation-Disordered Cu2ZnSnS4

et al. 2021

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We present the first candidate for the realization of a disorder-induced Topological Anderson Insulator in a real material system. High-energy reactive mechanical alloying produces a polymorph of Cu2ZnSnS4 with high cation disorder. Density functional theory calculations show an inverted ordering of bands at the Brillouin zone center for this polymorph, which is in contrast to its ordered phase. Adiabatic continuity arguments establish that this disordered Cu2ZnSnS4 can be connected to the closely related Cu2ZnSnSe4, which was previously predicted to be a 3D topological insulator, while band structure calculations with a slab geometry reveal the presence of robust surface states. This evidence makes a strong case in favor of a novel topological phase. As such, the study opens up a window to understanding and potentially exploiting topological behavior in a rich class of easily-synthesized multinary, disordered compounds.

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“…Five experimental papers [1][2][3][4][5] overview the recent status and challenges of TI nanostructures [1], magnetotransport and induced superconductivity [2], chemistry of Bi-based TI materials [3], molecular beam epitaxial growth of TI thin films [4], and angle-resolved photoemission spectroscopy (ARPES) with circular dichroism [5]. On the other hand, five theoretical papers [6][7][8][9][10] report the progress from different perspectives: materials design by firstprinciples calculations [6,7], the relations between TIs and thermoelectric materials [8], Floquet TIs [9], and the classification of topological states [10].…”

Section: Topological Insulatorsfrom Materials Design To Realitymentioning

confidence: 99%

Topological Insulators – From Materials Design to Reality

Yan

Felser

Zhang³

2013

Physica Rapid Research Ltrs

Self Cite

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Topological insulators (TIs) are a new quantum state of matter discovered in recent years. They are beyond the spontaneous symmetry-breaking description by Landau and are instead characterized by topological invariants, and described by topological field theory. Their topological nature is similar to the quantum Hall effect, a major discovery of condensed-matter physics in the 1980s (Klaus von Klitzing, Nobel Prize in Physics, 1985). The manifestation of the topological effect is the existence of robust gapless surface states inside the bulk energy gap. The topological surface states exhibit Dirac-cone-like energy dispersion with strong spin-momentum locking. Potential future applications cover areas such as spintronics, thermoelectrics, quantum computing and beyond.It is remarkable that TIs have been realized in many common materials, without the requirement of extreme conditions such as high magnetic field and low temperature. The first TI was predicted in 2006 and experimentally realized in 2007 in HgTe quantum wells. Soon afterwards, three traditionally well-known binary chalcogenides, Bi 2 Se 3 , Bi 2 Te 3 and Sb 2 Te 3 , were predicted and observed to be TIs with a large bulk gap and a metallic surface state consisting of a single Dirac cone. The discovery of these topological materials opened up the exciting field of topological insulators. Extensive experimental and theoretical efforts are devoted to synthesizing and optimizing samples, characterizing the topological states by surface sensitive spectroscopy, transport measurements, device fabrications, and searching for new material candidates.The field of TIs is now expanding at a rapid pace in the communities of physics, chemistry and materials science. In this Focus Issue, we intend to present a highquality snapshot of the materials and applications aspect of this field.We present ten Review papers from both experiment and theory aspects. Five experimental papers [1][2][3][4][5] We present ten Letters that cover various aspects, ranging from ARPES, transport measurement and devices, thin film growth to first-principles simulations and fundamental theory. Letters on ARPES [11][12][13][14] [18] shows the dependence of edge state dispersion on edge geometry of graphene. Last but not the least, two papers on phenomenological models [19,20] report the maximally localized flat-band Hamiltonians and the spectra flow for Aharonov-Bohm rings, respectively.We hope that this Focus Issue will be helpful for your research and stimulate more activity in the exciting field of topological insulators.

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Topological phase transition in bulk materials described by the coherent potential approximation technique

Cited by 10 publications

References 20 publications

Robustness of Rashba and Dirac Fermions against Strong Disorder

Robustness of Rashba and Dirac Fermions against Strong Disorder

Topological Anderson Insulator in Cation-Disordered Cu2ZnSnS4

Topological Insulators – From Materials Design to Reality

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