Quasiparticle twist dynamics in non-symmorphic materials
TL;DR: In this paper, the twist dynamics of quasiparticles (including phonons and Bloch electrons) in non-symmorphic chiral and achiral materials are presented.
About: This article is published in Materials Today Physics.The article was published on 2021-09-30. It has received 10 citations till now. The article focuses on the topics: Quasiparticle & Phonon.
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Journal Article•
TL;DR: It is shown that Kramers–Weyl fermions are a universal topological electronic property of all non-magnetic chiral crystals with spin–orbit coupling and are guaranteed by structural chirality, lattice translation and time-reversal symmetry.
Abstract: Chiral crystals are materials with a lattice structure that has a well-defined handedness due to the lack of inversion, mirror or other roto-inversion symmetries. Although it has been shown that the presence of crystalline symmetries can protect topological band crossings, the topological electronic properties of chiral crystals remain largely uncharacterized. Here we show that Kramers–Weyl fermions are a universal topological electronic property of all non-magnetic chiral crystals with spin–orbit coupling and are guaranteed by structural chirality, lattice translation and time-reversal symmetry. Unlike conventional Weyl fermions, they appear at time-reversal-invariant momenta. We identify representative chiral materials in 33 of the 65 chiral space groups in which Kramers–Weyl fermions are relevant to the low-energy physics. We determine that all point-like nodal degeneracies in non-magnetic chiral crystals with relevant spin–orbit coupling carry non-trivial Chern numbers. Kramers–Weyl materials can exhibit a monopole-like electron spin texture and topologically non-trivial bulk Fermi surfaces over an unusually large energy window.Kramers–Weyl fermions are identified in chiral crystals, and their phenomenology is drawn out.
88 citations
Posted Content•
30 Nov 2011
TL;DR: In this paper, a complete classification of two-band theories at band crossing points in 3D semimetals with $n$-fold rotation symmetry and broken time-reversal symmetry is performed.
Abstract: We perform a complete classification of two-band $\bk\cdot\mathbf{p}$ theories at band crossing points in 3D semimetals with $n$-fold rotation symmetry and broken time-reversal symmetry. Using this classification, we show the existence of new 3D topological semimetals characterized by $C_{4,6}$-protected double-Weyl nodes with quadratic in-plane (along $k_{x,y}$) dispersion or $C_6$-protected triple-Weyl nodes with cubic in-plane dispersion. We apply this theory to the 3D ferromagnet HgCr$_2$Se$_4$ and confirm it is a double-Weyl metal protected by $C_4$ symmetry. Furthermore, if the direction of the ferromagnetism is shifted away from the [001]- to the [111]-axis, the double-Weyl node splits into four single Weyl nodes, as dictated by the point group $S_6$ of that phase. Finally, we discuss experimentally relevant effects including splitting of multi-Weyl nodes by applying $C_n$ breaking strain and the surface Fermi arcs in these new semimetals.
18 citations
TL;DR: In this paper , the vibrational properties of the prototype ferromagnetic honeycomb lattice material CrCl3 using inelastic neutron scattering and density functional theory are examined and an efficient dynamic method that exploits translational symmetries in large conventional unit cells is introduced to generate insights into phonon dispersions, interactions, and measured spectra in terms of quantum phase interference conditions.
8 citations
TL;DR: In this article , a comprehensive and detailed description of lattice dynamics derived from twist symmetries of chiral and achiral crystals is provided, where twist dynamics is demonstrated for a variety of materials covering a range of space groups, symmetry operations, twist axis orientations and constituent elements.
Abstract: Phonons and their interactions are critically important for a variety of energy-relevant applications ranging from low thermal resistance substrates to thermal barrier coatings. Fundamental insights into the nature of phonons and allowed interactions are governed by the underlying symmetries of the crystal lattice. In this paper, we provide a comprehensive and detailed description of lattice dynamics derived from twist symmetries of chiral and achiral crystals---twist dynamics. Phonon bands naturally carry quantized crystal angular momentum derived from rotational phases, which give insights into the nature of band crossings and avoided crossings, selection rules for phonon interactions, and topological band crossing behaviors. Twist dynamics is demonstrated for a variety of materials covering a range of space groups, symmetry operations, twist axis orientations, and constituent elements. Furthermore, twist symmetry offers insights into peculiar features observed in scattering measurements. In this context, we present inelastic neutron scattering measurements for rutile ${\mathrm{TiO}}_{2}$ and explain them using twist dynamics.
3 citations
TL;DR: In this paper , the pseudoangular momentum of phonons in a crystal with an approximate screw symmetry has been studied, based on the fact that the information of the quantum numbers defined under exact screw symmetry partially remains in the eigenvectors of approximate screw symmetric systems.
Abstract: The properties of systems with exact $n$-fold screw symmetry $(n=2,3,4,6)$ have been well-studied because they can be understood in terms of space groups. On the other hand, the existence of materials with approximate screw symmetries, such as sevenfold and tenfold screw symmetries, has been predicted. In this paper, we study the properties of phonons in crystals with approximate screw symmetries, which will lead to unique and new physical phenomena. In a crystal with an approximate screw symmetry, we propose a method to extract information on the pseudoangular momentum of phonons, which is a quantum number characterizing the properties of phonon modes under screw symmetry, based on the fact that the information of the quantum numbers defined under exact screw symmetry partially remains in the eigenvectors of approximate screw symmetric systems. As a preparation, we study a one-dimensional crystal with partially broken translation symmetry that has an enlarged unit cell, and we show how to extract information on a quantum number corresponding to the pseudoangular momentum by studying a relative phase between neighboring atoms. We also extend this method to systems with an approximate screw symmetry, and we discuss the properties of the pseudoangular momentum. We apply this method to the results of our first-principles calculations on candidate materials with an approximate translational symmetry or with an approximate screw symmetry, and we show how this approximate symmetry is reflected in the phonon wave functions.
1 citations
References
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TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.
Abstract: From a theory of Hohenberg and Kohn, approximation methods for treating an inhomogeneous system of interacting electrons are developed. These methods are exact for systems of slowly varying or high density. For the ground state, they lead to self-consistent equations analogous to the Hartree and Hartree-Fock equations, respectively. In these equations the exchange and correlation portions of the chemical potential of a uniform electron gas appear as additional effective potentials. (The exchange portion of our effective potential differs from that due to Slater by a factor of $\frac{2}{3}$.) Electronic systems at finite temperatures and in magnetic fields are also treated by similar methods. An appendix deals with a further correction for systems with short-wavelength density oscillations.
47,477 citations
TL;DR: In this paper, the theoretical foundation for topological insulators and superconductors is reviewed and recent experiments are described in which the signatures of topologically insulators have been observed.
Abstract: Topological insulators are electronic materials that have a bulk band gap like an ordinary insulator but have protected conducting states on their edge or surface. These states are possible due to the combination of spin-orbit interactions and time-reversal symmetry. The two-dimensional (2D) topological insulator is a quantum spin Hall insulator, which is a close cousin of the integer quantum Hall state. A three-dimensional (3D) topological insulator supports novel spin-polarized 2D Dirac fermions on its surface. In this Colloquium the theoretical foundation for topological insulators and superconductors is reviewed and recent experiments are described in which the signatures of topological insulators have been observed. Transport experiments on $\mathrm{Hg}\mathrm{Te}∕\mathrm{Cd}\mathrm{Te}$ quantum wells are described that demonstrate the existence of the edge states predicted for the quantum spin Hall insulator. Experiments on ${\mathrm{Bi}}_{1\ensuremath{-}x}{\mathrm{Sb}}_{x}$, ${\mathrm{Bi}}_{2}{\mathrm{Se}}_{3}$, ${\mathrm{Bi}}_{2}{\mathrm{Te}}_{3}$, and ${\mathrm{Sb}}_{2}{\mathrm{Te}}_{3}$ are then discussed that establish these materials as 3D topological insulators and directly probe the topology of their surface states. Exotic states are described that can occur at the surface of a 3D topological insulator due to an induced energy gap. A magnetic gap leads to a novel quantum Hall state that gives rise to a topological magnetoelectric effect. A superconducting energy gap leads to a state that supports Majorana fermions and may provide a new venue for realizing proposals for topological quantum computation. Prospects for observing these exotic states are also discussed, as well as other potential device applications of topological insulators.
15,562 citations
TL;DR: The realization of intrinsic unconventional superconductivity is reported—which cannot be explained by weak electron–phonon interactions—in a two-dimensional superlattice created by stacking two sheets of graphene that are twisted relative to each other by a small angle.
Abstract: The behaviour of strongly correlated materials, and in particular unconventional superconductors, has been studied extensively for decades, but is still not well understood. This lack of theoretical understanding has motivated the development of experimental techniques for studying such behaviour, such as using ultracold atom lattices to simulate quantum materials. Here we report the realization of intrinsic unconventional superconductivity-which cannot be explained by weak electron-phonon interactions-in a two-dimensional superlattice created by stacking two sheets of graphene that are twisted relative to each other by a small angle. For twist angles of about 1.1°-the first 'magic' angle-the electronic band structure of this 'twisted bilayer graphene' exhibits flat bands near zero Fermi energy, resulting in correlated insulating states at half-filling. Upon electrostatic doping of the material away from these correlated insulating states, we observe tunable zero-resistance states with a critical temperature of up to 1.7 kelvin. The temperature-carrier-density phase diagram of twisted bilayer graphene is similar to that of copper oxides (or cuprates), and includes dome-shaped regions that correspond to superconductivity. Moreover, quantum oscillations in the longitudinal resistance of the material indicate the presence of small Fermi surfaces near the correlated insulating states, in analogy with underdoped cuprates. The relatively high superconducting critical temperature of twisted bilayer graphene, given such a small Fermi surface (which corresponds to a carrier density of about 1011 per square centimetre), puts it among the superconductors with the strongest pairing strength between electrons. Twisted bilayer graphene is a precisely tunable, purely carbon-based, two-dimensional superconductor. It is therefore an ideal material for investigations of strongly correlated phenomena, which could lead to insights into the physics of high-critical-temperature superconductors and quantum spin liquids.
5,613 citations
TL;DR: Weyl and Dirac semimetals as discussed by the authors are three-dimensional phases of matter with gapless electronic excitations that are protected by topology and symmetry, and they have generated much recent interest.
Abstract: Weyl and Dirac semimetals are three-dimensional phases of matter with gapless electronic excitations that are protected by topology and symmetry. As three-dimensional analogs of graphene, they have generated much recent interest. Deep connections exist with particle physics models of relativistic chiral fermions, and, despite their gaplessness, to solid-state topological and Chern insulators. Their characteristic electronic properties lead to protected surface states and novel responses to applied electric and magnetic fields. The theoretical foundations of these phases, their proposed realizations in solid-state systems, and recent experiments on candidate materials as well as their relation to other states of matter are reviewed.
3,407 citations
TL;DR: Wannier90 is a program for calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that may or may not be attached to or mixed with other bands, and is able to output MLWF for visualisation and other post-processing purposes.
2,599 citations