skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Integrating superconducting phase and topological crystalline quantum spin Hall effect in hafnium intercalated gallium film

Journal Article · · Applied Physics Letters
DOI:https://doi.org/10.1063/1.4954672· OSTI ID:1467580
 [1];  [2];  [3];  [1]
  1. Virginia Commonwealth Univ., Richmond, VA (United States)
  2. Peking Univ., Beijing (China)
  3. Peking Univ., Beijing (China); Virginia Commonwealth Univ., Richmond, VA (United States)

Here, motivated by the growth of superconducting atomic hexagonal Ga layers on GaN surface we have calculated the electronic properties of Hf intercalated honeycomb Ga layers using first-principles theory. In contrast to the hexagonal Ga layers where substrate is necessary for their stability, we find the above structure to be dynamically stable in its freestanding form with small formation energy. In particular, six Dirac cones composed of Hf-dxy/dx2-y2 orbitals are observed in the first Brillouin zone, slightly below the Fermi energy. Spin-orbit coupling opens a large band gap of 177 meV on these Dirac cones. By calculating its mirror Chern number, we demonstrate that this band gap is topologically nontrivial and protected by mirror symmetry. Such mirror symmetry protected band gaps are rare in hexagonal lattice. A large topological crystalline quantum spin Hall conductance σSH ~–4 e2/h is also revealed. Moreover, electron-phonon coupling calculations reveal that this material is superconducting with a transition temperature Tc = 2.4 K, mainly contributed by Ga out-of-plane vibrations. Our results provide a route toward manipulating quantum spin Hall and superconducting behaviors in a single material which helps to realize Majorana fermions and topological superconductors.

Research Organization:
Virginia Commonwealth Univ., Richmond, VA (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
FG02-96ER45579; FG02-11ER46827
OSTI ID:
1467580
Alternate ID(s):
OSTI ID: 1258325
Journal Information:
Applied Physics Letters, Vol. 108, Issue 25; ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 4 works
Citation information provided by
Web of Science

References (30)

Generalized Gradient Approximation Made Simple journal October 1996
Observation of Dirac Node Formation and Mass Acquisition in a Topological Crystalline Insulator journal August 2013
Topological insulators and superconductors journal October 2011
Transition temperature of strong-coupled superconductors reanalyzed journal August 1975
Hafnium binary alloys from experiments and first principles journal May 2010
Projector augmented-wave method journal December 1994
Evidence for two-dimensional Ising superconductivity in gated MoS2 journal November 2015
Maximally localized Wannier functions: Theory and applications journal October 2012
Hybrid functionals based on a screened Coulomb potential journal May 2003
A simple measure of electron localization in atomic and molecular systems journal May 1990
Special points for Brillouin-zone integrations journal June 1976
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal September 2009
wannier90: A tool for obtaining maximally-localised Wannier functions journal May 2008
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Computational Screening of 2D Materials for Photocatalysis journal March 2015
Experimental realization of a topological crystalline insulator in SnTe journal September 2012
Topological Crystalline Insulators journal March 2011
Quantum Griffiths singularity of superconductor-metal transition in Ga thin films journal October 2015
Endohedral gallide cluster superconductors and superconductivity in ReGa 5 journal December 2015
Two-Dimensional Transition Metal Honeycomb Realized: Hf on Ir(111) journal September 2013
Electron Localization in Solid-State Structures of the Elements: the Diamond Structure journal February 1992
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)] journal June 2006
Spin-filtered edge states with an electrically tunable gap in a two-dimensional topological crystalline insulator journal December 2013
Evidence for superconductivity in Li-decorated monolayer graphene journal September 2015
Improved grid-based algorithm for Bader charge allocation journal January 2007
Prediction of a Dirac state in monolayer TiB 2 journal October 2014
Tailoring Li adsorption on graphene journal November 2014
First-principles calculations of a robust two-dimensional boron honeycomb sandwiching a triangular molybdenum layer journal July 2014
Intrinsic spin Hall effect in monolayers of group-VI dichalcogenides: A first-principles study journal October 2012
Deploying Darter - A Cray XC30 System book January 2014

Cited By (1)


Similar Records

Integrating superconducting phase and topological crystalline quantum spin Hall effect in hafnium intercalated gallium film
Journal Article · Mon Jun 20 00:00:00 EDT 2016 · Applied Physics Letters · OSTI ID:1467580

Two-dimensional topological crystalline quantum spin Hall effect in transition metal intercalated compounds
Journal Article · Wed Feb 01 00:00:00 EST 2017 · Physical Review B · OSTI ID:1467580

Topological insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a single Dirac cone on the surface
Journal Article · Wed Feb 24 00:00:00 EST 2010 · Nature Phys.5:438-442,2009 · OSTI ID:1467580