Prediction of superconducting iron–bismuth intermetallic compounds at high pressure

Amsler, Maximilian; Naghavi, S. Shahab; Wolverton, Chris

doi:10.1039/c6sc04683e

Title: Prediction of superconducting iron–bismuth intermetallic compounds at high pressure

Journal Article · Wed Dec 07 00:00:00 EST 2016 · Chemical Science

DOI:https://doi.org/10.1039/c6sc04683e· OSTI ID:1423807

Amsler, Maximilian ^[1]; Naghavi, S. Shahab ^[1]; Wolverton, Chris ^[1]

Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering

The synthesis of materials in high-pressure experiments has recently attracted increasing attention, especially since the discovery of record breaking superconducting temperatures in the sulfur–hydrogen and other hydrogen-rich systems. Commonly, the initial precursor in a high pressure experiment contains constituent elements that are known to form compounds at ambient conditions, however the discovery of high-pressure phases in systems immiscible under ambient conditions poses an additional materials design challenge. We performed an extensive multi component ab initio structural search in the immiscible Fe–Bi system at high pressure and report on the surprising discovery of two stable compounds at pressures above ≈36 GPa, FeBi₂ and FeBi₃. According to our predictions, FeBi₂ is a metal at the border of magnetism with a conventional electron–phonon mediated superconducting transition temperature of T_c = 1.3 K at 40 GPa.

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Research Organization:: Northwestern Univ., Evanston, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); Swiss National Science Foundation (Switzerland)

Grant/Contract Number:: FG02-07ER46433; AC02-05CH11231; OCI-1053575; ACI-1445606; P300P2-158407

OSTI ID:: 1423807

Journal Information:: Chemical Science, Vol. 8, Issue 3; ISSN 2041-6520

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 20 works

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References (136)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems Goedecker, Stefan The Journal of Chemical Physics, Vol. 120, Issue 21 https://doi.org/10.1063/1.1724816	journal	June 2004
Metallic Hydrogen: A High-Temperature Superconductor? Ashcroft, N. W. Physical Review Letters, Vol. 21, Issue 26 https://doi.org/10.1103/PhysRevLett.21.1748	journal	December 1968
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Ab Initio Description of High-Temperature Superconductivity in Dense Molecular Hydrogen Cudazzo, P.; Profeta, G.; Sanna, A. Physical Review Letters, Vol. 100, Issue 25 https://doi.org/10.1103/PhysRevLett.100.257001	journal	June 2008
Composition and Constitution of Compressed Strontium Polyhydrides Hooper, James; Terpstra, Tyson; Shamp, Andrew The Journal of Physical Chemistry C, Vol. 118, Issue 12 https://doi.org/10.1021/jp4125342	journal	March 2014
Chemical Bonding in TiSb ₂ and VSb ₂ : A Quantum Chemical and Experimental Study Armbrüster, Marc; Schnelle, Walter; Schwarz, Ulrich Inorganic Chemistry, Vol. 46, Issue 16 https://doi.org/10.1021/ic070284p	journal	August 2007
Efficient moves for global geometry optimization methods and their application to binary systems Sicher, Michael; Mohr, Stephan; Goedecker, Stefan The Journal of Chemical Physics, Vol. 134, Issue 4 https://doi.org/10.1063/1.3530590	journal	January 2011
General trend for pressurized superconducting hydrogen-dense materials Kim, D. Y.; Scheicher, R. H.; Mao, H. -k. Proceedings of the National Academy of Sciences, Vol. 107, Issue 7 https://doi.org/10.1073/pnas.0914462107	journal	January 2010
Magnetic and crystallographic studies on the higher antimonies of iron, cobalt and nickel Rosenqvist, Terkel Acta Metallurgica, Vol. 1, Issue 6 https://doi.org/10.1016/0001-6160(53)90040-6	journal	November 1953
Silane plus molecular hydrogen as a possible pathway to metallic hydrogen Yao, Y.; Klug, D. D. Proceedings of the National Academy of Sciences, Vol. 107, Issue 49 https://doi.org/10.1073/pnas.1006508107	journal	November 2010
The synthesis and characterization of LiFeAs and NaFeAs Chu, C. W.; Chen, F.; Gooch, M. Physica C: Superconductivity, Vol. 469, Issue 9-12 https://doi.org/10.1016/j.physc.2009.03.016	journal	May 2009
Electronic structure and magnetism of FeGe2 Jeong, T. Solid State Communications, Vol. 141, Issue 6 https://doi.org/10.1016/j.ssc.2006.11.019	journal	February 2007
Density functional study of FeS, FeSe, and FeTe: Electronic structure, magnetism, phonons, and superconductivity Subedi, Alaska; Zhang, Lijun; Singh, D. J. Physical Review B, Vol. 78, Issue 13 https://doi.org/10.1103/PhysRevB.78.134514	journal	October 2008
First-principles study of the pressure and crystal-structure dependences of the superconducting transition temperature in compressed sulfur hydrides Akashi, Ryosuke; Kawamura, Mitsuaki; Tsuneyuki, Shinji Physical Review B, Vol. 91, Issue 22 https://doi.org/10.1103/PhysRevB.91.224513	journal	June 2015
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
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
Kristallchemische Untersuchungen in den Systemen Mn?As, V?Sb, Ti?Sb Nowotny, H.; Funk, R.; Pesl, J. Monatshefte f�r Chemie, Vol. 82, Issue 3 https://doi.org/10.1007/BF00900849	journal	January 1951
Pressure-induced metallization of silane Chen, X. -J.; Struzhkin, V. V.; Song, Y. Proceedings of the National Academy of Sciences, Vol. 105, Issue 1 https://doi.org/10.1073/pnas.0710473105	journal	December 2007
Ionic high-pressure form of elemental boron Oganov, Artem R.; Chen, Jiuhua; Gatti, Carlo Nature, Vol. 457, Issue 7231 https://doi.org/10.1038/nature07736	journal	January 2009
Optical investigation of the metal-insulator transition in FeSb2 Perucchi, Andrea; Degiorgi, Leonardo; Hu, Rongwei ETH Zurich https://doi.org/10.3929/ethz-b-000413848	text	January 2006
Magnetic Collapse in Transition Metal Oxides at High Pressure: Implications for the Earth Cohen, R. E. Science, Vol. 275, Issue 5300 https://doi.org/10.1126/science.275.5300.654	journal	January 1997
Metallization and Superconductivity in the Hydrogen-Rich Ionic Salt BaReH ₉ Muramatsu, Takaki; Wanene, Wilson K.; Somayazulu, Maddury The Journal of Physical Chemistry C, Vol. 119, Issue 32 https://doi.org/10.1021/acs.jpcc.5b03709	journal	August 2015
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
Crystal structure prediction using the Minima Hopping method Amsler, Maximilian; Goedecker, Stefan arXiv https://doi.org/10.48550/arxiv.1007.2003	text	January 2010
The Crystal Structure of Löllingite, FeAs2 Buerger, M. J. Zeitschrift für Kristallographie - Crystalline Materials, Vol. 82, Issue 1-6 https://doi.org/10.1524/zkri.1932.82.1.165	journal	January 1932
Emergent reduction of electronic state dimensionality in dense ordered Li-Be alloys Feng, Ji; Hennig, Richard G.; Ashcroft, N. W. Nature, Vol. 451, Issue 7177 https://doi.org/10.1038/nature06442	journal	January 2008
High-pressure synthesis of the cubic perovskite BaRuO3 and evolution of ferromagnetism in ARuO3 (A = Ca, Sr, Ba) ruthenates Jin, C. -Q.; Zhou, J. -S.; Goodenough, J. B. Proceedings of the National Academy of Sciences, Vol. 105, Issue 20 https://doi.org/10.1073/pnas.0710928105	journal	May 2008
Pressure-induced metallization of dense (H2S)2H2 with high-Tc superconductivity Duan, Defang; Liu, Yunxian; Tian, Fubo Scientific Reports, Vol. 4, Issue 1 https://doi.org/10.1038/srep06968	journal	November 2014
What superconducts in sulfur hydrides under pressure, and why Bernstein, N.; Hellberg, C. S.; Johannes, M. D. arXiv https://doi.org/10.48550/arxiv.1501.00196	text	January 2015
Novel Superconductivity in Metallic ${SnH}_{4}$ under High Pressure Tse, J. S.; Yao, Y.; Tanaka, K. Physical Review Letters, Vol. 98, Issue 11 https://doi.org/10.1103/PhysRevLett.98.117004	journal	March 2007
High temperature superconductivity in sulfur and selenium hydrides at high pressure Flores-Livas, José A.; Sanna, Antonio; Gross, E. K. U. arXiv https://doi.org/10.48550/arxiv.1501.06336	text	January 2015
Anisotropy and large magnetoresistance in the narrow-gap semiconductor ${FeSb}_{2}$ Petrovic, C.; Kim, J. W.; Bud’ko, S. L. Physical Review B, Vol. 67, Issue 15 https://doi.org/10.1103/PhysRevB.67.155205	journal	April 2003
High-Pressure Hydrogen Sulfide from First Principles: A Strongly Anharmonic Phonon-Mediated Superconductor Errea, Ion; Calandra, Matteo; Pickard, Chris J. Physical Review Letters, Vol. 114, Issue 15 https://doi.org/10.1103/PhysRevLett.114.157004	journal	April 2015
Pressure-induced phase transitions of AX ₂ -type iron pnictides: an ab initio study Wu, X.; Steinle-Neumann, G.; Qin, S. Journal of Physics: Condensed Matter, Vol. 21, Issue 18 https://doi.org/10.1088/0953-8984/21/18/185403	journal	March 2009
Coexistence of superconductivity and ferromagnetism in URhGe Aoki, Dai; Huxley, Andrew; Ressouche, Eric Nature, Vol. 413, Issue 6856 https://doi.org/10.1038/35098048	journal	October 2001
Superconductivity at 100 K in dense SiH4(H2)2 predicted by first principles Li, Y.; Gao, G.; Xie, Y. Proceedings of the National Academy of Sciences, Vol. 107, Issue 36 https://doi.org/10.1073/pnas.1007354107	journal	August 2010
High temperature superconductivity in sulfur and selenium hydrides at high pressure Flores-Livas, José A.; Sanna, Antonio; Gross, E. K. U. The European Physical Journal B, Vol. 89, Issue 3 https://doi.org/10.1140/epjb/e2016-70020-0	journal	March 2016
Superconductivity in the non-magnetic state of iron under pressure Shimizu, Katsuya; Kimura, Tomohiro; Furomoto, Shigeyuki Nature, Vol. 412, Issue 6844 https://doi.org/10.1038/35085536	journal	July 2001
High pressure chemistry in the H2-SiH4 system Wang, S.; Mao, H. -k.; Chen, X. -J. Proceedings of the National Academy of Sciences, Vol. 106, Issue 35 https://doi.org/10.1073/pnas.0907729106	journal	August 2009
Über die Kristallstruktur des FeP ₂ Meisel, Karl Zeitschrift für anorganische und allgemeine Chemie, Vol. 218, Issue 4 https://doi.org/10.1002/zaac.19342180404	journal	July 1934
Unconventional superconductivity in Ba0.6K0.4Fe2As2 from inelastic neutron scattering Christianson, A. D.; Goremychkin, E. A.; Osborn, R. Nature, Vol. 456, Issue 7224 https://doi.org/10.1038/nature07625	journal	December 2008
CoBi ₃ –the first binary compound of cobalt with bismuth: high-pressure synthesis and superconductivity Tencé, S.; Janson, O.; Krellner, C. Journal of Physics: Condensed Matter, Vol. 26, Issue 39 https://doi.org/10.1088/0953-8984/26/39/395701	journal	September 2014
Unexpected Stable Stoichiometries of Sodium Chlorides Zhang, W.; Oganov, A. R.; Goncharov, A. F. Science, Vol. 342, Issue 6165 https://doi.org/10.1126/science.1244989	journal	December 2013
Novel Structural Motifs in Low Energy Phases of ${LiAlH}_{4}$ Amsler, Maximilian; Flores-Livas, José A.; Huan, Tran Doan Physical Review Letters, Vol. 108, Issue 20 https://doi.org/10.1103/PhysRevLett.108.205505	journal	May 2012
Superconductivity gets an iron boost Mazin, Igor I. Nature, Vol. 464, Issue 7286 https://doi.org/10.1038/nature08914	journal	March 2010
Superconductivity in the PbO-type structure -FeSe Hsu, F. -C.; Luo, J. -Y.; Yeh, K. -W. Proceedings of the National Academy of Sciences, Vol. 105, Issue 38 https://doi.org/10.1073/pnas.0807325105	journal	September 2008
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
Magnetic structure and critical properties of ${FeGe}_{2}$ Corliss, L. M.; Hastings, J. M.; Kunnmann, W. Physical Review B, Vol. 31, Issue 7 https://doi.org/10.1103/PhysRevB.31.4337	journal	April 1985
Unconventional Superconductivity with a Sign Reversal in the Order Parameter of ${LaFeAsO}_{1 - x} F_{x}$ Mazin, I. I.; Singh, D. J.; Johannes, M. D. Physical Review Letters, Vol. 101, Issue 5 https://doi.org/10.1103/PhysRevLett.101.057003	journal	July 2008
Chemical Bonding in TiSb2 and VSb2: A Quantum Chemical and Experimental Study Armbruester, Marc; Schnelle, Walter; Schwarz, Ulrich ChemInform, Vol. 38, Issue 43 https://doi.org/10.1002/chin.200743003	journal	October 2007
Efficient moves for global geometry optimization methods and their application to binary systems Sicher, Michael; Mohr, Stephan; Goedecker, Stefan AIP Publishing https://doi.org/10.5451/unibas-ep76319	text	January 2011
Rich stoichiometries of stable Ca-Bi system: Structure prediction and superconductivity Dong, Xu; Fan, Changzeng Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep09326	journal	March 2015
Ab initio molecular dynamics for liquid metals Kresse, G. Journal of Non-Crystalline Solids, Vol. 192-193 https://doi.org/10.1016/0022-3093(95)00355-X	journal	December 1995
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect Tatemizo, Nobuyuki; Imada, Saki; Okahara, Kizuna Scientific Reports, Vol. 10, Issue 1 https://doi.org/10.1038/s41598-020-58835-5	journal	February 2020
Crystal structure prediction using the minima hopping method Amsler, Maximilian; Goedecker, Stefan The Journal of Chemical Physics, Vol. 133, Issue 22 https://doi.org/10.1063/1.3512900	journal	December 2010
The ternary bismuth–iron–antimony system: Experimental phase diagram study and thermodynamic evaluation Boa, D.; Hassam, S.; Kra, G. Calphad, Vol. 32, Issue 2 https://doi.org/10.1016/j.calphad.2008.01.001	journal	June 2008
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
High pressure structures of disilane and their superconducting properties Amsler, Maximilian; Flores-Livas, José A.; Lenosky, Thomas J. arXiv https://doi.org/10.48550/arxiv.1111.6302	text	January 2011
Unexpected Stable Stoichiometries of Sodium Chlorides Zhang, W.; Oganov, A. R.; Goncharov, A. F. Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/desy-2014-01530	text	January 2013
Pressure-induced decomposition of solid hydrogen sulfide Duan, Defang; Huang, Xiaoli; Tian, Fubo Physical Review B, Vol. 91, Issue 18 https://doi.org/10.1103/PhysRevB.91.180502	journal	May 2015
Pressure-induced decomposition of solid hydrogen sulfide Duan, Defang; Huang, Xiaoli; Tian, Fubo arXiv https://doi.org/10.48550/arxiv.1501.01784	text	January 2015
CoBi ₃ : A Binary Cobalt-Bismuth Compound and Superconductor Schwarz, Ulrich; Tencé, Sophie; Janson, Oleg Angewandte Chemie International Edition, Vol. 52, Issue 37 https://doi.org/10.1002/anie.201302397	journal	July 2013
Marcasite-type Semiconductors Hulliger, F. Nature, Vol. 198, Issue 4885 https://doi.org/10.1038/1981081b0	journal	June 1963
Superconductivity on the border of weak itinerant ferromagnetism in UCoGe Huy, N. T.; Gasparini, A.; de Nijs, D. E. arXiv https://doi.org/10.48550/arxiv.0708.1388	text	January 2007
Generality of the 18- n Rule: Intermetallic Structural Chemistry Explained through Isolobal Analogies to Transition Metal Complexes Yannello, Vincent J.; Fredrickson, Daniel C. Inorganic Chemistry, Vol. 54, Issue 23 https://doi.org/10.1021/acs.inorgchem.5b02016	journal	November 2015
Structural and optical studies of FeSb2 under high pressure Poffo, Claudio Michel; de Souza, Sergio Michielon; Trichês, Daniela Menegon arXiv https://doi.org/10.48550/arxiv.1112.0468	text	January 2011
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets Chen, Ruyi; Cui, Qirui; Liao, Liyang Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-23414-3	journal	May 2021
Ab initio study revealing a layered structure in hydrogen-rich KH $_{6}$ under high pressure Zhou, Dawei; Jin, Xilian; Meng, Xing Physical Review B, Vol. 86, Issue 1 https://doi.org/10.1103/PhysRevB.86.014118	journal	July 2012
Crystal structure of the pressure-induced metallic phase of SiH4 from ab initio theory Kim, D. Y.; Scheicher, R. H.; Lebegue, S. Proceedings of the National Academy of Sciences, Vol. 105, Issue 43 https://doi.org/10.1073/pnas.0804148105	journal	October 2008
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
Efficient moves for global geometry optimization methods and their application to binary systems Sicher, Michael; Mohr, Stephan; Goedecker, Stefan arXiv https://doi.org/10.48550/arxiv.1006.5675	text	January 2010
Electronic structure and magnetic properties of CrSb $_{2}$ and FeSb $_{2}$ investigated via ab initio calculations Kuhn, G.; Mankovsky, S.; Ebert, H. Physical Review B, Vol. 87, Issue 8 https://doi.org/10.1103/PhysRevB.87.085113	journal	February 2013
Structure-induced coexistence of ferromagnetic and superconducting states of single-phase Bi $_{3}$ Ni seen via magnetization and resistance measurements Herrmannsdörfer, T.; Skrotzki, R.; Wosnitza, J. Physical Review B, Vol. 83, Issue 14 https://doi.org/10.1103/PhysRevB.83.140501	journal	April 2011
Superconductivity on the border of itinerant-electron ferromagnetism in UGe2 Saxena, S. S.; Agarwal, P.; Ahilan, K. Nature, Vol. 406, Issue 6796 https://doi.org/10.1038/35020500	journal	August 2000
Kristallstrukturen zweikomponentiger Phasen Schubert, Konrad Reine und angewandte Metallkunde in Einzeldarstellungen https://doi.org/10.1007/978-3-642-94904-3	book	January 1964
Magnetic structure of FeSn ₂ , and reflections on FeGe ₂ cells Venturini, G.; Fruchart, D.; Hubsch, J. Journal of Physics F: Metal Physics, Vol. 15, Issue 2 https://doi.org/10.1088/0305-4608/15/2/016	journal	February 1985
Superconductivity on the Border of Weak Itinerant Ferromagnetism in UCoGe Huy, N. T.; Gasparini, A.; de Nijs, D. E. Physical Review Letters, Vol. 99, Issue 6 https://doi.org/10.1103/PhysRevLett.99.067006	journal	August 2007
The semiconductor-to-ferromagnetic-metal transition in FeSb2 Lukoyanov, A. V.; Mazurenko, V. V.; Anisimov, V. I. The European Physical Journal B, Vol. 53, Issue 2 https://doi.org/10.1140/epjb/e2006-00361-0	journal	September 2006
Superconductivity at 31 K in the “111”-type iron arsenide superconductor Na _1−x FeAs induced by pressure Zhang, S. J.; Wang, X. C.; Liu, Q. Q. EPL (Europhysics Letters), Vol. 88, Issue 4 https://doi.org/10.1209/0295-5075/88/47008	journal	November 2009
Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure Flores-Livas, José A.; Amsler, Maximilian; Heil, Christoph Physical Review B, Vol. 93, Issue 2 https://doi.org/10.1103/PhysRevB.93.020508	journal	January 2016
Is ${LaFeAsO}_{1 - x} F_{x}$ an Electron-Phonon Superconductor? Boeri, L.; Dolgov, O. V.; Golubov, A. A. Physical Review Letters, Vol. 101, Issue 2 https://doi.org/10.1103/PhysRevLett.101.026403	journal	July 2008
Kristallstrukturen zweikomponentiger phasen Schubert, K. Journal of the Less Common Metals, Vol. 7, Issue 1, p. 86 https://doi.org/10.1016/0022-5088(64)90020-7	journal	July 1964
Ferromagnetic and antiferromagnetic spin fluctuations and superconductivity in the hcp-phase of Fe Jarlborg, T. Physics Letters A, Vol. 300, Issue 4-5 https://doi.org/10.1016/S0375-9601(02)00845-9	journal	August 2002
Many More Superconducting Bismuth Phases Matthias, B. T.; Jayaraman, A.; Geballe, T. H. Physical Review Letters, Vol. 17, Issue 12 https://doi.org/10.1103/PhysRevLett.17.640	journal	September 1966
Strain-stabilized superconductivity Ruf, J. P.; Paik, H.; Schreiber, N. J. Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-020-20252-7	journal	January 2021
Superconductivity at 27 K in tetragonal FeSe under high pressure Mizuguchi, Yoshikazu; Tomioka, Fumiaki; Tsuda, Shunsuke arXiv https://doi.org/10.48550/arxiv.0807.4315	text	January 2008
Magnetic instability within the series $T {Cu}_{3} N$ ( $T = Pd$ , Rh, and Ru): A first-principles study Sieberer, M.; Khmelevskyi, S.; Mohn, P. Physical Review B, Vol. 74, Issue 1 https://doi.org/10.1103/PhysRevB.74.014416	journal	July 2006
A new ferromagnetic polymorph of CrSb2 synthesized under high pressure Takizawa, Hirotsugu; Uheda, Kyota; Endo, Tadashi Journal of Alloys and Compounds, Vol. 287, Issue 1-2 https://doi.org/10.1016/S0925-8388(99)00056-0	journal	June 1999
Collective electron ferronmagnetism Stoner, Edmund Clifton Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, Vol. 165, Issue 922, p. 372-414 https://doi.org/10.1098/rspa.1938.0066	journal	April 1938
Structural properties of Ni1−tRhtBi3 Fjellvåg, Helmer; Furuseth, Sigrid Journal of the Less Common Metals, Vol. 128 https://doi.org/10.1016/0022-5088(87)90204-9	journal	February 1987
Calculated magnetic properties of binary alloys between Fe, Co, Ni, and Cu James, P.; Eriksson, O.; Johansson, B. Physical Review B, Vol. 59, Issue 1 https://doi.org/10.1103/PhysRevB.59.419	journal	January 1999
Density functional study of FeS, FeSe and FeTe: Electronic structure, magnetism, phonons and superconductivity Subedi, Alaska; Zhang, Lijun; Singh, David J. arXiv https://doi.org/10.48550/arxiv.0807.4312	text	January 2008
Superconductivity at 56 K in samarium-doped SrFeAsF Wu, G.; Xie, Y. L.; Chen, H. Journal of Physics: Condensed Matter, Vol. 21, Issue 14 https://doi.org/10.1088/0953-8984/21/14/142203	journal	March 2009
Electronic and magnetic phase diagram of β-Fe1.01Se with superconductivity at 36.7 K under pressure Medvedev, S.; McQueen, T. M.; Troyan, I. A. Nature Materials, Vol. 8, Issue 8 https://doi.org/10.1038/nmat2491	journal	June 2009
Magnetic Properties of Intermetallic Compounds in Iron-Germanium System : Fe _1.67 Ge and FeGe ₂ Yasukōchi, Kō; Kanematsu, Kazuo; Ohoyama, Tetuo Journal of the Physical Society of Japan, Vol. 16, Issue 3 https://doi.org/10.1143/JPSJ.16.429	journal	March 1961
Crystal Structure of Cold Compressed Graphite Amsler, Maximilian; Flores-Livas, José A.; Lehtovaara, Lauri Physical Review Letters, Vol. 108, Issue 6 https://doi.org/10.1103/PhysRevLett.108.065501	journal	February 2012
Transparent dense sodium Ma, Y.; Eremets, M. I.; Oganov, A. R. arXiv https://doi.org/10.48550/arxiv.0911.3190	text	January 2009
Hydrogen Dominant Metallic Alloys: High Temperature Superconductors? Ashcroft, N. W. Physical Review Letters, Vol. 92, Issue 18 https://doi.org/10.1103/PhysRevLett.92.187002	journal	May 2004
Accounting for spin fluctuations beyond local spin density approximation in the density functional theory Ortenzi, L.; Mazin, I. I.; Blaha, P. Physical Review B, Vol. 86, Issue 6 https://doi.org/10.1103/PhysRevB.86.064437	journal	August 2012
High-resolution X-ray luminescence extension imaging Ou, Xiangyu; Qin, Xian; Huang, Bolong Nature, Vol. 590, Issue 7846 https://doi.org/10.1038/s41586-021-03251-6	journal	February 2021
Correlated Electronic Structure of ${LaO}_{1 - x} F_{x} FeAs$ Haule, K.; Shim, J. H.; Kotliar, G. Physical Review Letters, Vol. 100, Issue 22 https://doi.org/10.1103/PhysRevLett.100.226402	journal	June 2008
Superconductivity in iron compounds Stewart, G. R. Reviews of Modern Physics, Vol. 83, Issue 4 https://doi.org/10.1103/RevModPhys.83.1589	journal	December 2011
What superconducts in sulfur hydrides under pressure and why Bernstein, N.; Hellberg, C. Stephen; Johannes, M. D. Physical Review B, Vol. 91, Issue 6 https://doi.org/10.1103/PhysRevB.91.060511	journal	February 2015
Collapse of the magnetic moment under pressure of AFe2 (A=Y, Zr, Lu and Hf) in the cubic Laves phase Zhang, Wenxu; Zhang, Wanli Journal of Magnetism and Magnetic Materials, Vol. 404 https://doi.org/10.1016/j.jmmm.2015.12.026	journal	April 2016
Bell-Evans-Polanyi principle for molecular dynamics trajectories and its implications for global optimization Roy, Shantanu; Goedecker, Stefan; Hellmann, Vladimir Physical Review E, Vol. 77, Issue 5 https://doi.org/10.1103/PhysRevE.77.056707	journal	May 2008
The superconducting state in metallic hydrogen under pressure at 2000 GPa Szczȩs̀niak, R.; Jarosik, M. W. Solid State Communications, Vol. 149, Issue 45-46 https://doi.org/10.1016/j.ssc.2009.08.019	journal	December 2009
SrFeAsF as a parent compound for iron pnictide superconductors Han, Fei; Zhu, Xiyu; Mu, Gang Physical Review B, Vol. 78, Issue 18 https://doi.org/10.1103/PhysRevB.78.180503	journal	November 2008
Transmissionsoptimierte Einkristallstrukturbestimmung und elektronische Struktur von Bi3Ni / Transmission-Optimized Single-Crystal Structure Determination and Electronic Structure of Bi3Ni Ruck, Michael; Söhnel, Tilo Zeitschrift für Naturforschung B, Vol. 61, Issue 7 https://doi.org/10.1515/znb-2006-0703	journal	July 2006
Transparent dense sodium Ma, Yanming; Eremets, Mikhail; Oganov, Artem R. Nature, Vol. 458, Issue 7235 https://doi.org/10.1038/nature07786	journal	March 2009
High-Pressure Structures of Disilane and Their Superconducting Properties Flores-Livas, José A.; Amsler, Maximilian; Lenosky, Thomas J. Physical Review Letters, Vol. 108, Issue 11 https://doi.org/10.1103/PhysRevLett.108.117004	journal	March 2012
Crystal chemical studies of the 5f-series of elements. I. New structure types Zachariasen, W. H. Acta Crystallographica, Vol. 1, Issue 5 https://doi.org/10.1107/S0365110X48000703	journal	November 1948
Transition temperature of strong-coupled superconductors reanalyzed Allen, P. B.; Dynes, R. C. Physical Review B, Vol. 12, Issue 3 https://doi.org/10.1103/PhysRevB.12.905	journal	August 1975
High-pressure crystal structures and superconductivity of Stannane (SnH4) Gao, G.; Oganov, A. R.; Li, P. Proceedings of the National Academy of Sciences, Vol. 107, Issue 4 https://doi.org/10.1073/pnas.0908342107	journal	January 2010
Ionic high-pressure form of elemental boron Oganov, Artem R.; Chen, Jiuhua; Gatti, Carlo Nature, Vol. 460, Issue 7252 https://doi.org/10.1038/nature08164	journal	July 2009
LiFeAs: An intrinsic FeAs-based superconductor with $T_{c} = 18 K$ Tapp, Joshua H.; Tang, Zhongjia; Lv, Bing Physical Review B, Vol. 78, Issue 6 https://doi.org/10.1103/PhysRevB.78.060505	journal	August 2008
Optical investigation of the metal-insulator transition in FeSb2 Perucchi, A.; Degiorgi, L.; Hu, Rongwei The European Physical Journal B, Vol. 54, Issue 2 https://doi.org/10.1140/epjb/e2006-00433-1	journal	November 2006
Discovery of a Superconducting Cu-Bi Intermetallic Compound by High-Pressure Synthesis Clarke, Samantha M.; Walsh, James P. S.; Amsler, Maximilian Angewandte Chemie International Edition, Vol. 55, Issue 43 https://doi.org/10.1002/anie.201605902	journal	September 2016
Structure, antiferromagnetism and superconductivity of the layered iron arsenide NaFeAs Parker, Dinah R.; Pitcher, Michael J.; Baker, Peter J. arXiv https://doi.org/10.48550/arxiv.0810.3214	text	January 2008
Structural and optical studies of FeSb2 under high pressure Poffo, C. M.; Souza, S. M.; Trichês, D. M. Physica B: Condensed Matter, Vol. 407, Issue 24 https://doi.org/10.1016/j.physb.2012.08.032	journal	December 2012
Magnetism and its microscopic origin in iron-based high-temperature superconductors Dai, Pengcheng; Hu, Jiangping; Dagotto, Elbio arXiv https://doi.org/10.48550/arxiv.1209.0381	text	January 2012
A Naked Diatomic Molecule of Bismuth, [Bi ₂ ] ^2- , with a Short Bi−Bi Bond: Synthesis and Structure Xu, Li; Bobev, Svilen; El-Bahraoui, Jaouad Journal of the American Chemical Society, Vol. 122, Issue 8 https://doi.org/10.1021/ja992422i	journal	March 2000
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
Full-potential, linearized augmented plane wave programs for crystalline systems Blaha, P.; Schwarz, K.; Sorantin, P. Computer Physics Communications, Vol. 59, Issue 2 https://doi.org/10.1016/0010-4655(90)90187-6	journal	June 1990
High-temperature superconductivity in atomic metallic hydrogen McMahon, Jeffrey M.; Ceperley, David M. Physical Review B, Vol. 84, Issue 14 https://doi.org/10.1103/PhysRevB.84.144515	journal	October 2011
The superconductivity at 18 K in LiFeAs system Wang, X. C.; Liu, Q. Q.; Lv, Y. X. arXiv https://doi.org/10.48550/arxiv.0806.4688	text	January 2008
Superconductivity at 27K in tetragonal FeSe under high pressure Mizuguchi, Yoshikazu; Tomioka, Fumiaki; Tsuda, Shunsuke Applied Physics Letters, Vol. 93, Issue 15 https://doi.org/10.1063/1.3000616	journal	October 2008
Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure Flores-Livas, Jose A.; Amsler, Maximilian; Heil, Christoph American Physical Society https://doi.org/10.5451/unibas-ep53946	text	January 2016
Magnetism and its microscopic origin in iron-based high-temperature superconductors Dai, Pengcheng; Hu, Jiangping; Dagotto, Elbio Nature Physics, Vol. 8, Issue 10 https://doi.org/10.1038/nphys2438	journal	October 2012
Discovery of a Superconducting Cu-Bi Intermetallic Compound by High-Pressure Synthesis Clarke, Samantha M.; Walsh, James P. S.; Amsler, Maximilian Angewandte Chemie, Vol. 128, Issue 43 https://doi.org/10.1002/ange.201605902	journal	September 2016
Superconductivity in Iron Compounds Stewart, G. R. arXiv https://doi.org/10.48550/arxiv.1106.1618	text	January 2011
The superconductivity at 18 K in LiFeAs system Wang, X. C.; Liu, Q. Q.; Lv, Y. X. Solid State Communications, Vol. 148, Issue 11-12 https://doi.org/10.1016/j.ssc.2008.09.057	journal	December 2008
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
Structure, antiferromagnetism and superconductivity of the layered iron arsenide NaFeAs Parker, Dinah R.; Pitcher, Michael J.; Baker, Peter J. Chemical Communications, Issue 16 https://doi.org/10.1039/b818911k	journal	January 2009
Röntgenanalyse des Systems Nickel-Wismut Hägg, Gunnar; Funke, Gösta Zeitschrift für Physikalische Chemie, Vol. 6B, Issue 1 https://doi.org/10.1515/zpch-1929-0630	journal	November 1929
Röntgenographische Untersuchungen in den Systemen Mn–Bi, Co–Sb, Ni–Sb Fürst, U.; Halla, F. Zeitschrift für Physikalische Chemie, Vol. 40B, Issue 1 https://doi.org/10.1515/zpch-1938-4020	journal	January 1938

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