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      Discovery of Lorentz-violating type II Weyl fermions in LaAlGe

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          Abstract

          Photoemission revealed the type II Weyl fermionic quasiparticles in LaAlGe crystals.

          Abstract

          In quantum field theory, Weyl fermions are relativistic particles that travel at the speed of light and strictly obey the celebrated Lorentz symmetry. Their low-energy condensed matter analogs are Weyl semimetals, which are conductors whose electronic excitations mimic the Weyl fermion equation of motion. Although the traditional (type I) emergent Weyl fermions observed in TaAs still approximately respect Lorentz symmetry, recently, the so-called type II Weyl semimetal has been proposed, where the emergent Weyl quasiparticles break the Lorentz symmetry so strongly that they cannot be smoothly connected to Lorentz symmetric Weyl particles. Despite some evidence of nontrivial surface states, the direct observation of the type II bulk Weyl fermions remains elusive. We present the direct observation of the type II Weyl fermions in crystalline solid lanthanum aluminum germanide (LaAlGe) based on our photoemission data alone, without reliance on band structure calculations. Moreover, our systematic data agree with the theoretical calculations, providing further support on our experimental results.

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          Generalized Gradient Approximation Made Simple.

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            Electronic Structure of Pyrochlore Iridates: From Topological Dirac Metal to Mott Insulator

            In 5d transition metal oxides such as the iridates, novel properties arise from the interplay of electron correlations and spin-orbit interactions. We investigate the electronic structure of the pyrochlore iridates, (such as Y\(_{2}\)Ir\(_{2}\)O\(_{7}\)) using density functional theory, LDA+U method, and effective low energy models. A remarkably rich phase diagram emerges on tuning the correlation strength U. The Ir magnetic moment are always found to be non-collinearly ordered. However, the ground state changes from a magnetic metal at weak U, to a Mott insulator at large U. Most interestingly, the intermediate U regime is found to be a Dirac semi-metal, with vanishing density of states at the Fermi energy. It also exhibits topological properties - manifested by special surface states in the form of Fermi arcs, that connect the bulk Dirac points. This Dirac phase, a three dimensional analog of graphene, is proposed as the ground state of Y\(_{2}\)Ir\(_{2}\)O\(_{7}\) and related compounds. A narrow window of magnetic `axion' insulator, with axion parameter \(\theta=\pi\), may also be present at intermediate U. An applied magnetic field induces ferromagnetic order and a metallic ground state.
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              Maximally-localized generalized Wannier functions for composite energy bands

              We discuss a method for determining the optimally-localized set of generalized Wannier functions associated with a set of Bloch bands in a crystalline solid. By ``generalized Wannier functions'' we mean a set of localized orthonormal orbitals spanning the same space as the specified set of Bloch bands. Although we minimize a functional that represents the total spread sum_n [ _n - _n^2 ] of the Wannier functions in real space, our method proceeds directly from the Bloch functions as represented on a mesh of k-points, and carries out the minimization in a space of unitary matrices U_mn^k describing the rotation among the Bloch bands at each k-point. The method is thus suitable for use in connection with conventional electronic-structure codes. The procedure also returns the total electric polarization as well as the location of each Wannier center. Sample results for Si, GaAs, molecular C2H4, and LiCl will be presented.
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                Author and article information

                Journal
                Sci Adv
                Sci Adv
                SciAdv
                advances
                Science Advances
                American Association for the Advancement of Science
                2375-2548
                June 2017
                02 June 2017
                : 3
                : 6
                : e1603266
                Affiliations
                [1 ]Department of Physics, Laboratory for Topological Quantum Matter and Spectroscopy (B7), Princeton University, Princeton, NJ 08544, USA.
                [2 ]Rigetti & Co Inc., 775 Heinz Avenue, Berkeley, CA 94710, USA.
                [3 ]Centre for Advanced 2D Materials and Graphene Research Centre, National University of Singapore, 6 Science Drive 2, Singapore 117546, Singapore.
                [4 ]Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117542, Singapore.
                [5 ]International Center for Quantum Materials, School of Physics, Peking University, Beijing, China.
                [6 ]Department of Physics and Astronomy, University of Missouri, Columbia, MO 65211, USA.
                [7 ]Paul Scherrer Institute, Swiss Light Source, CH-5232 Villigen PSI, Switzerland.
                [8 ]National Institute of Materials Physics, 405A Atomistilor Street, 077125 Magurele, Romania.
                [9 ]Department of Physics, National Sun Yat-Sen University, Kaohsiung 804, Taiwan.
                [10 ]Department of Physics, National Tsing Hua University, Hsinchu 30013, Taiwan.
                [11 ]Department of Physics, National Cheng Kung University, Tainan 701, Taiwan.
                [12 ]Institute of Physics, Academia Sinica, Nankang, Taipei 11529, Taiwan.
                [13 ]Department of Physics, Northeastern University, Boston, MA 02115, USA.
                [14 ]Department of Physics, University of Zurich, Winterthurerstrasse 190, CH-8052, Switzerland.
                [15 ]Collaborative Innovation Center of Quantum Matter, Beijing 100871, China.
                Author notes
                [*]

                These authors contributed equally to this work.

                []Corresponding author. Email: mzhasan@ 123456princeton.edu
                Author information
                http://orcid.org/0000-0003-1180-3127
                http://orcid.org/0000-0002-2013-1126
                http://orcid.org/0000-0003-4510-6653
                http://orcid.org/0000-0003-4273-9682
                http://orcid.org/0000-0002-2394-8537
                http://orcid.org/0000-0003-1222-2527
                http://orcid.org/0000-0002-4688-2315
                Article
                1603266
                10.1126/sciadv.1603266
                5457030
                28630919
                f7fb9c90-c954-448c-afbc-3c5daf0e2a99
                Copyright © 2017, The Authors

                This is an open-access article distributed under the terms of the Creative Commons Attribution-NonCommercial license, which permits use, distribution, and reproduction in any medium, so long as the resultant use is not for commercial advantage and provided the original work is properly cited.

                History
                : 02 February 2017
                : 07 April 2017
                Funding
                Funded by: FundRef http://dx.doi.org/10.13039/100006132, Office of Science;
                Award ID: ID0EKYAI15132
                Award Recipient :
                Categories
                Research Article
                Research Articles
                SciAdv r-articles
                Materials Science
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                Justin Noriel

                topological materials,weyl semimetals
                topological materials, weyl semimetals

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