Electronic structure in a transition metal dipnictide TaAs 2

Regmi, Sabin; Huang, Cheng-Yi; Khan, Mojammel A.; Wang, Baokai; Pradhan Sakhya, Anup; Hosen, M. Mofazzel; Thompson, Jesse; Singh, Bahadur; Denlinger, Jonathan D.; Ishigami, Masahiro; Mitchell, J. F.; Kaczorowski, Dariusz; Bansil, Arun; Neupane, Madhab

doi:10.1088/1361-648X/ad04fc

Title: Electronic structure in a transition metal dipnictide TaAs ₂

Abstract

Abstract The family of transition-metal dipnictides has been of theoretical and experimental interest because this family hosts topological states and extremely large magnetoresistance (MR). Recently, ${T a A s}_{2}$ , a member of this family, has been predicted to support a topological crystalline insulating state. Here, by using high-resolution angle-resolved photoemission spectroscopy (ARPES), we reveal both closed and open pockets in the metallic Fermi surface (FS) and linearly dispersive bands on the ( $\overline{2} 01$ ) surface, along with the presence of extreme MR observed from magneto-transport measurements. A comparison of the ARPES results with first-principles computations shows that the linearly dispersive bands on the measured surface of ${T a A s}_{2}$ are trivial bulk bands. The absence of symmetry-protected surface state on the ( $\overline{2} 01$ ) surface indicates its topologically dark nature. The presence of open FS features suggests that the open-orbit fermiology could contribute to the extremely large MR of ${T a A s}_{2}$ .

Authors:

; Huang, Cheng-Yi; Khan, Mojammel A.; Wang, Baokai;

;

; Thompson, Jesse;

;

; Ishigami, Masahiro; Mitchell, J. F.;

; Bansil, Arun;

Publication Date:: Tue Nov 14 00:00:00 EST 2023

Research Org.:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)US Air Force Office of Scientific Research (AFOSR); National Science Foundation (NSF)

OSTI Identifier:: 2205682

Alternate Identifier(s):: OSTI ID: 2202987; OSTI ID: 2332761

Grant/Contract Number:: AC02-05CH11231; FA9550-20-1-0322; DMR-1847962

Resource Type:: Published Article

Journal Name:: Journal of Physics. Condensed Matter

Additional Journal Information:: Journal Name: Journal of Physics. Condensed Matter Journal Volume: 36 Journal Issue: 7; Journal ID: ISSN 0953-8984

Publisher:: IOP Publishing

Country of Publication:: United Kingdom

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; angle-resolved photoemission spectroscopy; electronic structure; transition metal dipnictide; extreme magnetoresistance

Citation Formats


                    Regmi, Sabin, Huang, Cheng-Yi, Khan, Mojammel A., Wang, Baokai, Pradhan Sakhya, Anup, Hosen, M. Mofazzel, Thompson, Jesse, Singh, Bahadur, Denlinger, Jonathan D., Ishigami, Masahiro, Mitchell, J. F., Kaczorowski, Dariusz, Bansil, Arun, and Neupane, Madhab. Electronic structure in a transition metal dipnictide TaAs 2.  United Kingdom: N. p., 2023. 
Web.  doi:10.1088/1361-648X/ad04fc.

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                    Regmi, Sabin, Huang, Cheng-Yi, Khan, Mojammel A., Wang, Baokai, Pradhan Sakhya, Anup, Hosen, M. Mofazzel, Thompson, Jesse, Singh, Bahadur, Denlinger, Jonathan D., Ishigami, Masahiro, Mitchell, J. F., Kaczorowski, Dariusz, Bansil, Arun, & Neupane, Madhab. Electronic structure in a transition metal dipnictide TaAs 2.  United Kingdom.  https://doi.org/10.1088/1361-648X/ad04fc

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                    Regmi, Sabin, Huang, Cheng-Yi, Khan, Mojammel A., Wang, Baokai, Pradhan Sakhya, Anup, Hosen, M. Mofazzel, Thompson, Jesse, Singh, Bahadur, Denlinger, Jonathan D., Ishigami, Masahiro, Mitchell, J. F., Kaczorowski, Dariusz, Bansil, Arun, and Neupane, Madhab. Tue .  
"Electronic structure in a transition metal dipnictide TaAs 2".  United Kingdom.  https://doi.org/10.1088/1361-648X/ad04fc.

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@article{osti_2205682,

  title        = {Electronic structure in a transition metal dipnictide TaAs 2},

  author       = {Regmi, Sabin and Huang, Cheng-Yi and Khan, Mojammel A. and Wang, Baokai and Pradhan Sakhya, Anup and Hosen, M. Mofazzel and Thompson, Jesse and Singh, Bahadur and Denlinger, Jonathan D. and Ishigami, Masahiro and Mitchell, J. F. and Kaczorowski, Dariusz and Bansil, Arun and Neupane, Madhab},

  abstractNote = {Abstract The family of transition-metal dipnictides has been of theoretical and experimental interest because this family hosts topological states and extremely large magnetoresistance (MR). Recently, T a A s 2 , a member of this family, has been predicted to support a topological crystalline insulating state. Here, by using high-resolution angle-resolved photoemission spectroscopy (ARPES), we reveal both closed and open pockets in the metallic Fermi surface (FS) and linearly dispersive bands on the ( 2 ‾ 01 ) surface, along with the presence of extreme MR observed from magneto-transport measurements. A comparison of the ARPES results with first-principles computations shows that the linearly dispersive bands on the measured surface of T a A s 2 are trivial bulk bands. The absence of symmetry-protected surface state on the ( 2 ‾ 01 ) surface indicates its topologically dark nature. The presence of open FS features suggests that the open-orbit fermiology could contribute to the extremely large MR of T a A s 2 .},

  doi          = {10.1088/1361-648X/ad04fc},

  journal      = {Journal of Physics. Condensed Matter},

  number       = 7,

  volume       = 36,

  place        = {United Kingdom},

  year         = {Tue Nov 14 00:00:00 EST 2023},

  month        = {Tue Nov 14 00:00:00 EST 2023}

}

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Title: Electronic structure in a transition metal dipnictide TaAs 2

Abstract

Citation Formats

Extremely high magnetoresistance and conductivity in the type-II Weyl semimetals WP2 and MoP2 journal, November 2017

Generalized Gradient Approximation Made Simple journal, October 1996

Observation of a topological crystalline insulator phase and topological phase transition in Pb1−xSnxTe journal, January 2012

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Projector augmented-wave method journal, December 1994

Robust Type-II Weyl Semimetal Phase in Transition Metal Diphosphides X P 2 ( X = Mo , W) journal, August 2016

Large, non-saturating magnetoresistance in WTe2 journal, September 2014

Extremely large magnetoresistance from electron-hole compensation in the nodal-loop semimetalZrP2 journal, April 2021

Observation of gapped state in rare-earth monopnictide HoSb journal, July 2020

wannier90: A tool for obtaining maximally-localised Wannier functions journal, May 2008

Colloquium : Topological band theory journal, June 2016

Experimental Realization of a Three-Dimensional Topological Insulator, Bi2Te3 journal, June 2009

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

Fermi surface topology and negative longitudinal magnetoresistance observed in the semimetal NbAs 2 journal, May 2016

Magnetic field effects on transport properties of PtSn 4 journal, January 2012

Topological Crystalline Insulators journal, March 2011

Enhanced magnetoresistance in the binary semimetal NbAs 2 due to improved crystal quality journal, February 2018

Compensated Semimetal LaSb with Unsaturated Magnetoresistance journal, September 2016

Extremely large magnetoresistance induced by Zeeman effect-driven electron-hole compensation and topological protection in MoSi 2 journal, May 2018

A weak topological insulator state in quasi-one-dimensional bismuth iodide journal, February 2019

Ab initiomolecular dynamics for liquid metals journal, January 1993

Topological crystalline insulators in the SnTe material class journal, January 2012

Magnetoresistance and robust resistivity plateau in MoAs2 journal, November 2017

Large magnetoresistance in compensated semimetals TaAs 2 and NbAs 2 journal, May 2016

Anomalous electronic structure and magnetoresistance in TaAs2 journal, June 2016

Electronic structure and open-orbit Fermi surface topology in isostructural semimetals NbAs2 and W2As3 with extremely large magnetoresistance journal, March 2022

Topological crystalline insulator states in the Ca 2 As family journal, December 2018

Observation of open-orbit Fermi surface topology in the extremely large magnetoresistance semimetal MoAs 2 journal, December 2017

Magnetoresistance and Kondo Effect in Nodal-Line Semimetal VAs2 * journal, January 2021

Self-Consistent Equations Including Exchange and Correlation Effects journal, November 1965

Resistivity plateau and extreme magnetoresistance in LaSb journal, December 2015

Resistivity plateau and extremely large magnetoresistance in NbAs 2 and TaAs 2 journal, July 2016

Termination-dependent topological surface states in nodal-loop semimetal HfP 2 journal, May 2020

Cleaving plane-dependent electronic structures of transition metal diarsenides journal, June 2021

Electronic structure and topological properties of centrosymmetric MoAs2/WAs2 from first principles journal, September 2017

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Huge linear magnetoresistance due to open orbits in γ − PtBi 2 journal, May 2020

Gate-tunable negative longitudinal magnetoresistance in the predicted type-II Weyl semimetal WTe2 journal, October 2016

Topological insulators with inversion symmetry journal, July 2007

Colloquium: Topological insulators journal, November 2010

Giant semiclassical magnetoresistance in high mobility TaAs 2 semimetal journal, January 2016

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

Observation of a large-gap topological-insulator class with a single Dirac cone on the surface journal, May 2009

Experimental realization of a topological crystalline insulator in SnTe journal, September 2012

Hidden Weyl points in centrosymmetric paramagnetic metals journal, March 2017

Topological insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a single Dirac cone on the surface journal, May 2009

Inhomogeneous Electron Gas journal, November 1964

Fermi surface investigation of the semimetal TaAs2 journal, June 2019

Topological Insulators in Three Dimensions journal, March 2007

Electronic properties of TaAs2 topological semimetal investigated by transport and ARPES journal, January 2022

WannierTools: An open-source software package for novel topological materials journal, March 2018

Optical signatures of Dirac nodal lines in NbAs 2 journal, December 2018

Resistivity plateau and negative magnetoresistance in the topological semimetal TaSb 2 journal, September 2016

Purely rotational symmetry-protected topological crystalline insulator $\alpha$ -Bi 4 Br 4 journal, May 2019

Anisotropic giant magnetoresistance in NbSb2 journal, December 2014

Electronic structures of transition metal dipnictides X P n 2 ( X = Ta , Nb; P n = P , As, Sb) journal, May 2016

Title: Electronic structure in a transition metal dipnictide TaAs ₂

Extremely high magnetoresistance and conductivity in the type-II Weyl semimetals WP2 and MoP2
journal, November 2017

Generalized Gradient Approximation Made Simple
journal, October 1996

Observation of a topological crystalline insulator phase and topological phase transition in Pb1−xSnxTe
journal, January 2012

Topological insulators and superconductors
journal, October 2011

Projector augmented-wave method
journal, December 1994

Robust Type-II Weyl Semimetal Phase in Transition Metal Diphosphides $X P_{2}$ ( $X = Mo$ , W)
journal, August 2016

Large, non-saturating magnetoresistance in WTe2
journal, September 2014

Extremely large magnetoresistance from electron-hole compensation in the nodal-loop semimetalZrP2
journal, April 2021

Observation of gapped state in rare-earth monopnictide HoSb
journal, July 2020

wannier90: A tool for obtaining maximally-localised Wannier functions
journal, May 2008

Colloquium : Topological band theory
journal, June 2016

Experimental Realization of a Three-Dimensional Topological Insulator, Bi₂Te₃
journal, June 2009

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Fermi surface topology and negative longitudinal magnetoresistance observed in the semimetal ${NbAs}_{2}$
journal, May 2016

Magnetic field effects on transport properties of PtSn $_{4}$
journal, January 2012

Topological Crystalline Insulators
journal, March 2011

Enhanced magnetoresistance in the binary semimetal ${NbAs}_{2}$ due to improved crystal quality
journal, February 2018

Compensated Semimetal LaSb with Unsaturated Magnetoresistance
journal, September 2016

Extremely large magnetoresistance induced by Zeeman effect-driven electron-hole compensation and topological protection in ${MoSi}_{2}$
journal, May 2018

A weak topological insulator state in quasi-one-dimensional bismuth iodide
journal, February 2019

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Topological crystalline insulators in the SnTe material class
journal, January 2012

Magnetoresistance and robust resistivity plateau in MoAs2
journal, November 2017

Large magnetoresistance in compensated semimetals ${TaAs}_{2}$ and ${NbAs}_{2}$
journal, May 2016

Anomalous electronic structure and magnetoresistance in TaAs2
journal, June 2016

Electronic structure and open-orbit Fermi surface topology in isostructural semimetals NbAs2 and W2As3 with extremely large magnetoresistance
journal, March 2022

Topological crystalline insulator states in the ${Ca}_{2} As$ family
journal, December 2018

Observation of open-orbit Fermi surface topology in the extremely large magnetoresistance semimetal ${MoAs}_{2}$
journal, December 2017

Magnetoresistance and Kondo Effect in Nodal-Line Semimetal VAs₂ *
journal, January 2021

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965

Resistivity plateau and extreme magnetoresistance in LaSb
journal, December 2015

Resistivity plateau and extremely large magnetoresistance in ${NbAs}_{2}$ and ${TaAs}_{2}$
journal, July 2016

Termination-dependent topological surface states in nodal-loop semimetal ${HfP}_{2}$
journal, May 2020

Cleaving plane-dependent electronic structures of transition metal diarsenides
journal, June 2021

Electronic structure and topological properties of centrosymmetric MoAs2/WAs2 from first principles
journal, September 2017

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Huge linear magnetoresistance due to open orbits in $γ − {PtBi}_{2}$
journal, May 2020

Gate-tunable negative longitudinal magnetoresistance in the predicted type-II Weyl semimetal WTe2
journal, October 2016

Topological insulators with inversion symmetry
journal, July 2007

Colloquium: Topological insulators
journal, November 2010

Giant semiclassical magnetoresistance in high mobility TaAs ₂ semimetal
journal, January 2016

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Observation of a large-gap topological-insulator class with a single Dirac cone on the surface
journal, May 2009

Experimental realization of a topological crystalline insulator in SnTe
journal, September 2012

Hidden Weyl points in centrosymmetric paramagnetic metals
journal, March 2017

Topological insulators in Bi₂Se₃, Bi₂Te₃ and Sb₂Te₃ with a single Dirac cone on the surface
journal, May 2009

Inhomogeneous Electron Gas
journal, November 1964

Fermi surface investigation of the semimetal TaAs2
journal, June 2019

Topological Insulators in Three Dimensions
journal, March 2007

Electronic properties of TaAs₂ topological semimetal investigated by transport and ARPES
journal, January 2022

WannierTools: An open-source software package for novel topological materials
journal, March 2018

Optical signatures of Dirac nodal lines in NbAs ₂
journal, December 2018

Resistivity plateau and negative magnetoresistance in the topological semimetal ${TaSb}_{2}$
journal, September 2016

Purely rotational symmetry-protected topological crystalline insulator $\alpha$ -Bi 4 Br 4
journal, May 2019

Anisotropic giant magnetoresistance in NbSb2
journal, December 2014

Electronic structures of transition metal dipnictides $X P n_{2}$ ( $X = Ta$ , Nb; $P n = P$ , As, Sb)
journal, May 2016