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

Zhou, Jian; Zhang, Shunhong; Wang, Qian; Jena, Puru

doi:10.1063/1.4954672

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

Abstract

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-d_xy/d_x2-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 σ_SH ~–4 e²/h is also revealed. Moreover, electron-phonon coupling calculations reveal that this material is superconducting with a transition temperature T_c = 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.

Authors:

Zhou, Jian ^[1]; Zhang, Shunhong ^[2]; Wang, Qian ^[3]; Jena, Puru ^[1]

Virginia Commonwealth Univ., Richmond, VA (United States)
Peking Univ., Beijing (China)
Peking Univ., Beijing (China); Virginia Commonwealth Univ., Richmond, VA (United States)

Publication Date:: Mon Jun 20 00:00:00 EDT 2016

Research Org.:: Virginia Commonwealth Univ., Richmond, VA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1467580

Alternate Identifier(s):: OSTI ID: 1258325

Grant/Contract Number:: FG02-96ER45579; FG02-11ER46827

Resource Type:: Accepted Manuscript

Journal Name:: Applied Physics Letters

Additional Journal Information:: Journal Volume: 108; Journal Issue: 25; Journal ID: ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    Zhou, Jian, Zhang, Shunhong, Wang, Qian, and Jena, Puru. Integrating superconducting phase and topological crystalline quantum spin Hall effect in hafnium intercalated gallium film.  United States: N. p., 2016. 
Web.  doi:10.1063/1.4954672.

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                    Zhou, Jian, Zhang, Shunhong, Wang, Qian, & Jena, Puru. Integrating superconducting phase and topological crystalline quantum spin Hall effect in hafnium intercalated gallium film.  United States.  https://doi.org/10.1063/1.4954672

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                    Zhou, Jian, Zhang, Shunhong, Wang, Qian, and Jena, Puru. Mon .  
"Integrating superconducting phase and topological crystalline quantum spin Hall effect in hafnium intercalated gallium film".  United States.  https://doi.org/10.1063/1.4954672.  https://www.osti.gov/servlets/purl/1467580.

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@article{osti_1467580,

  title        = {Integrating superconducting phase and topological crystalline quantum spin Hall effect in hafnium intercalated gallium film},

  author       = {Zhou, Jian and Zhang, Shunhong and Wang, Qian and Jena, Puru},

  abstractNote = {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.},

  doi          = {10.1063/1.4954672},

  journal      = {Applied Physics Letters},

  number       = 25,

  volume       = 108,

  place        = {United States},

  year         = {Mon Jun 20 00:00:00 EDT 2016},

  month        = {Mon Jun 20 00:00:00 EDT 2016}

}

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Works referencing / citing this record:

The structure and superconductivity of ultrathin Ga films on GaN substrate: A first-principles calculations
journal, August 2018

Huang, G. Q.
Journal of Applied Physics, Vol. 124, Issue 6
DOI: 10.1063/1.5039825

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

Abstract

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

Observation of Dirac Node Formation and Mass Acquisition in a Topological Crystalline Insulator journal, August 2013

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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

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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal, September 2009

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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

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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

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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

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Prediction of a Dirac state in monolayer TiB 2 journal, October 2014

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Generalized Gradient Approximation Made Simple
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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
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Endohedral gallide cluster superconductors and superconductivity in ReGa ₅
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Two-Dimensional Transition Metal Honeycomb Realized: Hf on Ir(111)
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Electron Localization in Solid-State Structures of the Elements: the Diamond Structure
journal, February 1992

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journal, June 2006

Spin-filtered edge states with an electrically tunable gap in a two-dimensional topological crystalline insulator
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