Superconductivity Induced by Oxygen Doping in Y 2 O 2 Bi

Cheng, Xiyue; Gordon, Elijah E.; Whangbo, Myung‐Hwan; Deng, Shuiquan

doi:10.1002/ange.201701427

Title: Superconductivity Induced by Oxygen Doping in Y ₂ O ₂ Bi

Journal Article · Mon Apr 03 00:00:00 EDT 2017 · Angewandte Chemie

DOI:https://doi.org/10.1002/ange.201701427· OSTI ID:1400832

Cheng, Xiyue ^[1]; Gordon, Elijah E. ^[2]; Whangbo, Myung‐Hwan ^[3]; Deng, Shuiquan ^[1]

State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter (FJIRSM) Chinese Academy of Sciences (CAS) Fuzhou 350002 China
Department of Chemistry North Carolina State University Raleigh NC 27695-8204 USA
State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter (FJIRSM) Chinese Academy of Sciences (CAS) Fuzhou 350002 China, Department of Chemistry North Carolina State University Raleigh NC 27695-8204 USA

Abstract When doped with oxygen, the layered Y ₂ O ₂ Bi phase becomes a superconductor. This finding raises questions about the sites for doped oxygen, the mechanism of superconductivity, and practical guidelines for discovering new superconductors. We probed these questions in terms of first‐principles calculations for undoped and O‐doped Y ₂ O ₂ Bi. The preferred sites for doped O atoms are the centers of Bi ₄ squares in the Bi square net. Several Bi 6p x / y bands of Y ₂ O ₂ Bi are raised in energy by oxygen doping because the 2p x / y orbitals of the doped oxygen make antibonding possible with the 6p x / y orbitals of surrounding Bi atoms. Consequently, the condition necessary for the “flat/steep” band model for superconductivity is satisfied in O‐doped Y ₂ O ₂ Bi.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1400832

Journal Information:: Angewandte Chemie, Journal Name: Angewandte Chemie Vol. 129 Journal Issue: 34; ISSN 0044-8249

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

References (43)

Superconductivity at 39 K in magnesium diboride Nagamatsu, Jun; Nakagawa, Norimasa; Muranaka, Takahiro Nature, Vol. 410, Issue 6824 https://doi.org/10.1038/35065039	journal	March 2001
Review of superconductivity in BiS 2 -based layered materials Mizuguchi, Yoshikazu Journal of Physics and Chemistry of Solids, Vol. 84 https://doi.org/10.1016/j.jpcs.2014.09.003	journal	September 2015
Topological insulators and superconductors Qi, Xiao-Liang; Zhang, Shou-Cheng Reviews of Modern Physics, Vol. 83, Issue 4 https://doi.org/10.1103/RevModPhys.83.1057	journal	October 2011
Superconductivity and Chemistry Simon, Arndt Angewandte Chemie International Edition in English, Vol. 36, Issue 17 https://doi.org/10.1002/anie.199717881	journal	September 1997
A Reverse Approach to Superconductivity Deng, Shuiquan; Felser, Claudia; Köhler, Jürgen Journal of Modern Physics, Vol. 04, Issue 06 https://doi.org/10.4236/jmp.2013.46A003	journal	January 2013
Electronic band structure and Fermi surface for new layered superconductor LaO0.5F0.5BiS2 in comparison with parent phase LaOBiS2 from first principles Shein, I. R.; Ivanovskii, A. L. JETP Letters, Vol. 96, Issue 12 https://doi.org/10.1134/S0021364012240101	journal	February 2013
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Superconductivity in fullerides Gunnarsson, O. Reviews of Modern Physics, Vol. 69, Issue 2 https://doi.org/10.1103/RevModPhys.69.575	journal	April 1997
Superconductivity above the lowest Earth temperature in pressurized sulfur hydride Bianconi, Antonio; Jarlborg, Thomas EPL (Europhysics Letters), Vol. 112, Issue 3 https://doi.org/10.1209/0295-5075/112/37001	journal	November 2015
Pairing Mechanisms Viewed from Physics and Chemistry Deng, S.; Simon, A.; Köhler, J. Superconductivity in Complex Systems https://doi.org/10.1007/b101018	book	May 2005
LOBSTER: A tool to extract chemical bonding from plane-wave based DFT: Tool to Extract Chemical Bonding Maintz, Stefan; Deringer, Volker L.; Tchougréeff, Andrei L. Journal of Computational Chemistry, Vol. 37, Issue 11 https://doi.org/10.1002/jcc.24300	journal	February 2016
Possible highT c superconductivity in the Ba?La?Cu?O system Bednorz, J. G.; M�ller, K. A. Zeitschrift f�r Physik B Condensed Matter, Vol. 64, Issue 2 https://doi.org/10.1007/BF01303701	journal	June 1986
A “Flat/Steep Band” Scenario in Momentum Space Deng, S.; Simon, A.; Köhler, J. Journal of Superconductivity, Vol. 17, Issue 2 https://doi.org/10.1023/B:JOSC.0000021247.78801.78	journal	April 2004
Darstellung und Kristallstruktur von BaMnSb2, SrMnBi2 und BaMnBi2 / Preparation and Crystal Structure of BaMnSb2, SrMnBi2 and BaMnBi2 Cordier, Gerhard; Schäfer, Herbert Zeitschrift für Naturforschung B, Vol. 32, Issue 4 https://doi.org/10.1515/znb-1977-0406	journal	April 1977
Superconductivity and Chemical Bonding in Mercury Deng, Shuiquan; Simon, Arndt; Köhler, Jürgen Angewandte Chemie International Edition, Vol. 37, Issue 5 https://doi.org/10.1002/(SICI)1521-3773(19980316)37:5<640::AID-ANIE640>3.0.CO;2-G	journal	March 1998
Titelbild: Strukturell definierte molekulare hypervalente Iod-Katalysatoren für intermolekulare enantioselektive Reaktionen (Angew. Chem. 1/2016) Haubenreisser, Stefan; Wöste, Thorsten H.; Martínez, Claudio Angewandte Chemie, Vol. 128, Issue 1 https://doi.org/10.1002/ange.201510990	journal	December 2015
Theory of Superconductivity Bardeen, J.; Cooper, L. N.; Schrieffer, J. R. Physical Review, Vol. 108, Issue 5 https://doi.org/10.1103/PhysRev.108.1175	journal	December 1957
Layered transition-metal pnictide SrMnBi $_{2}$ with metallic blocking layer Wang, Jiakui K.; Zhao, Liang L.; Yin, Quan Physical Review B, Vol. 84, Issue 6 https://doi.org/10.1103/PhysRevB.84.064428	journal	August 2011
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Iron-Based Layered Superconductor La[O _1- _x F _x ]FeAs ( x = 0.05−0.12) with T _c = 26 K Kamihara, Yoichi; Watanabe, Takumi; Hirano, Masahiro Journal of the American Chemical Society, Vol. 130, Issue 11 https://doi.org/10.1021/ja800073m	journal	March 2008
Beyond Eliashberg Superconductivity in ${MgB}_{2}$ : Anharmonicity, Two-Phonon Scattering, and Multiple Gaps Liu, Amy Y.; Mazin, I. I.; Kortus, Jens Physical Review Letters, Vol. 87, Issue 8 https://doi.org/10.1103/PhysRevLett.87.087005	journal	August 2001
Bardeen-Cooper-Schrieffer Theory of Superconductivity in the Case of Overlapping Bands Suhl, H.; Matthias, B. T.; Walker, L. R. Physical Review Letters, Vol. 3, Issue 12 https://doi.org/10.1103/PhysRevLett.3.552	journal	December 1959
Two-Dimensional Superconductivity Emerged at Monatomic Bi ^2– Square Net in Layered Y ₂ O ₂ Bi via Oxygen Incorporation Sei, Ryosuke; Kitani, Suguru; Fukumura, Tomoteru Journal of the American Chemical Society, Vol. 138, Issue 35 https://doi.org/10.1021/jacs.6b05275	journal	August 2016
Röntgenuntersuchung am System Eisen—Selen Hägg, Gunnar; Kindström, Anna-Lisa Zeitschrift für Physikalische Chemie, Vol. 22B, Issue 1 https://doi.org/10.1515/zpch-1933-2240	journal	March 1933
Superconductivity and strong intrinsic defects in LaPd $_{1 - x}$ Bi $_{2}$ Han, Fei; Malliakas, Christos D.; Stoumpos, Constantinos C. Physical Review B, Vol. 88, Issue 14 https://doi.org/10.1103/PhysRevB.88.144511	journal	October 2013
The Preparation and Structure of Magnesium Boride, MgB ₂ Jones, Morton E.; Marsh, Richard E. Journal of the American Chemical Society, Vol. 76, Issue 5 https://doi.org/10.1021/ja01634a089	journal	March 1954
Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations Dronskowski, Richard; Bloechl, Peter E. The Journal of Physical Chemistry, Vol. 97, Issue 33 https://doi.org/10.1021/j100135a014	journal	August 1993
A Metal−Insulator Transition in R ₂ O ₂ Bi with an Unusual Bi ²⁻ Square Net (R = Rare Earth or Y) Mizoguchi, Hiroshi; Hosono, Hideo Journal of the American Chemical Society, Vol. 133, Issue 8 https://doi.org/10.1021/ja111015p	journal	March 2011
Supraleitung und chemische Bindung in Quecksilber Deng, Shuiquan; Simon, Arndt; Köhler, Jürgen Angewandte Chemie, Vol. 110, Issue 5 https://doi.org/10.1002/(SICI)1521-3757(19980302)110:5<664::AID-ANGE664>3.0.CO;2-8	journal	March 1998
Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids Maintz, Stefan; Deringer, Volker L.; Tchougréeff, Andrei L. Journal of Computational Chemistry, Vol. 34, Issue 29 https://doi.org/10.1002/jcc.23424	journal	September 2013
Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system Drozdov, A. P.; Eremets, M. I.; Troyan, I. A. Nature, Vol. 525, Issue 7567 https://doi.org/10.1038/nature14964	journal	August 2015
Cover Picture: Structurally Defined Molecular Hypervalent Iodine Catalysts for Intermolecular Enantioselective Reactions (Angew. Chem. Int. Ed. 1/2016) Haubenreisser, Stefan; Wöste, Thorsten H.; Martínez, Claudio Angewandte Chemie International Edition, Vol. 55, Issue 1 https://doi.org/10.1002/anie.201510990	journal	December 2015
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Coexistence of Light and Heavy Carriers Associated with Superconductivity and Antiferromagnetism in ${CeNi}_{0.8} {Bi}_{2}$ with a Bi Square Net Mizoguchi, Hiroshi; Matsuishi, Satoru; Hirano, Masahiro Physical Review Letters, Vol. 106, Issue 5 https://doi.org/10.1103/PhysRevLett.106.057002	journal	February 2011
Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets Deringer, Volker L.; Tchougréeff, Andrei L.; Dronskowski, Richard The Journal of Physical Chemistry A, Vol. 115, Issue 21 https://doi.org/10.1021/jp202489s	journal	June 2011
Observation of superconductivity in SrMnBi2 and Bi interface Vinod, K.; Bharathi, A.; Satya, A. T. Solid State Communications, Vol. 192 https://doi.org/10.1016/j.ssc.2014.05.013	journal	August 2014
The Challenge of Unconventional Superconductivity Norman, M. R. Science, Vol. 332, Issue 6026 https://doi.org/10.1126/science.1200181	journal	April 2011
The Electron-Pairing Mechanism of Iron-Based Superconductors Wang, F.; Lee, D. -H. Science, Vol. 332, Issue 6026 https://doi.org/10.1126/science.1200182	journal	April 2011
Crystal structure of the superconducting phase of sulfur hydride Einaga, Mari; Sakata, Masafumi; Ishikawa, Takahiro Nature Physics, Vol. 12, Issue 9 https://doi.org/10.1038/nphys3760	journal	May 2016
Superconducting Phase and Pairing Fluctuations in the Half-Filled Two-Dimensional Hubbard Model Sentef, Michael; Werner, Philipp; Gull, Emanuel Physical Review Letters, Vol. 107, Issue 12 https://doi.org/10.1103/PhysRevLett.107.126401	journal	September 2011
Supraleitung und Chemie Simon, Arndt Angewandte Chemie, Vol. 109, Issue 17 https://doi.org/10.1002/ange.19971091705	journal	September 1997
Quantum transport of two-dimensional Dirac fermions in SrMnBi $_{2}$ Wang, Kefeng; Graf, D.; Lei, Hechang Physical Review B, Vol. 84, Issue 22 https://doi.org/10.1103/PhysRevB.84.220401	journal	December 2011
Anisotropic Dirac electronic structures of $A$ MnBi $_{2}$ ( $A = Sr$ ,Ca) Lee, Geunsik; Farhan, Muhammad A.; Kim, Jun Sung Physical Review B, Vol. 87, Issue 24 https://doi.org/10.1103/PhysRevB.87.245104	journal	June 2013

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