Ir6In32S21, a polar, metal-rich semiconducting subchalcogenide

Khoury, Jason F.; He, Jiangang; Pfluger, Jonathan E.; Hadar, Ido; Balasubramanian, Mahalingam; Stoumpos, Constantinos C.; Zu, Rui; Gopalan, Venkatraman; Wolverton, Chris; Kanatzidis, Mercouri G.

doi:10.1039/c9sc05609b

Title: Ir₆In₃₂S₂₁, a polar, metal-rich semiconducting subchalcogenide

Journal Article · Tue Dec 10 00:00:00 EST 2019 · Chemical Science

DOI:https://doi.org/10.1039/c9sc05609b· OSTI ID:1597262

^[1]; He, Jiangang ^[1]; Pfluger, Jonathan E. ^[1];

^[1];

^[2];

^[3];

^[4];

^[4]; Wolverton, Chris ^[1];

^[1]

Northwestern Univ., Evanston, IL (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Univ. of Crete, Heraklion (Greece)
Pennsylvania State Univ., University Park, PA (United States)

Subchalcogenides are uncommon, and their chemical bonding results from an interplay between metal–metal and metal–chalcogenide interactions.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States); Northwestern Univ., Evanston, IL (United States)

Sponsoring Organization:: Air Force Research Laboratory (AFRL), Air Force Office of Scientific Research (AFOSR); National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division

Grant/Contract Number:: AC02-06CH11357; DMR-1708254; N00014-18-1-2102; NSF NNCI-1542205; FA9550-19-1-0243; AC02-05CH11231; DMR-1807768; DMR-1420620; SC0014520

OSTI ID:: 1597262

Alternate ID(s):: OSTI ID: 1777413

Journal Information:: Chemical Science, Vol. 11, Issue 3; ISSN 2041-6520

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 7 works

Citation information provided by
Web of Science

References (55)

S‐passivated InP (100)‐(1×1) surface prepared by a wet chemical process Tao, Y.; Yelon, A.; Sacher, E. Applied Physics Letters, Vol. 60, Issue 21 https://doi.org/10.1063/1.106890	journal	May 1992
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
Spintronics: Fundamentals and applications Žutić, Igor; Fabian, Jaroslav; Das Sarma, S. Reviews of Modern Physics, Vol. 76, Issue 2 https://doi.org/10.1103/RevModPhys.76.323	journal	April 2004
Probing Ferroelectrics Using Optical Second Harmonic Generation Denev, Sava A.; Lummen, Tom T. A.; Barnes, Eftihia Journal of the American Ceramic Society, Vol. 94, Issue 9 https://doi.org/10.1111/j.1551-2916.2011.04740.x	journal	August 2011
Noncentrosymmetric Oxides Halasyamani, P. Shiv; Poeppelmeier, Kenneth R. Chemistry of Materials, Vol. 10, Issue 10 https://doi.org/10.1021/cm980140w	journal	October 1998
Interplay of Rashba/Dresselhaus spin splittings probed by photogalvanic spectroscopy -A review: Interplay of Rashba/Dresselhaus spin splittings Ganichev, Sergey D.; Golub, Leonid E. physica status solidi (b), Vol. 251, Issue 9 https://doi.org/10.1002/pssb.201350261	journal	March 2014
A New Three-Dimensional Subsulfide Ir ₂ In ₈ S with Dirac Semimetal Behavior Khoury, Jason F.; Rettie, Alexander J. E.; Khan, Mojammel A. Journal of the American Chemical Society, Vol. 141, Issue 48 https://doi.org/10.1021/jacs.9b10147	journal	November 2019
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
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
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
Condensed RuSn6 Octahedra in Ru3Sn15O14 Reichelt, Werner; Söhnel, Tilo; Rademacher, Otto Angewandte Chemie International Edition in English, Vol. 34, Issue 19 https://doi.org/10.1002/anie.199521131	journal	October 1995
Spintronics: A Spin-Based Electronics Vision for the Future Wolf, S. A.; Awschalom, D. D.; Buhrman, R. A. Science, Vol. 294, Issue 5546, p. 1488-1495 https://doi.org/10.1126/science.1065389	journal	November 2001
Polyanionic Clusters and Networks of the Early p-Element Metals in the Solid State: Beyond the Zintl Boundary Corbett, John D. Angewandte Chemie International Edition, Vol. 39, Issue 4 https://doi.org/10.1002/(SICI)1521-3773(20000218)39:4<670::AID-ANIE670>3.0.CO;2-M	journal	February 2000
Remarkable Metal-Rich Ternary Chalcogenides Sc ₁₄ M ₃ Te ₈ (M = Ru, Os) Chen, Ling; Corbett, John D. Journal of the American Chemical Society, Vol. 125, Issue 5 https://doi.org/10.1021/ja0291540	journal	February 2003
Charge-density-wave superconductor ${Bi}_{2} {Rh}_{3} {Se}_{2}$ Sakamoto, Takeshi; Wakeshima, Makoto; Hinatsu, Yukio Physical Review B, Vol. 75, Issue 6 https://doi.org/10.1103/PhysRevB.75.060503	journal	February 2007
Bi5,6Ni5I: Eine partiell oxidierte intermetallische Phase mit Kanalstruktur Ruck, Michael Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 621, Issue 12 https://doi.org/10.1002/zaac.19956211210	journal	December 1995
Simple rules for the understanding of Heusler compounds Graf, Tanja; Felser, Claudia; Parkin, Stuart S. P. Progress in Solid State Chemistry, Vol. 39, Issue 1 https://doi.org/10.1016/j.progsolidstchem.2011.02.001	journal	May 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
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
Chemical Principles of Topological Semimetals Schoop, Leslie M.; Pielnhofer, Florian; Lotsch, Bettina V. Chemistry of Materials, Vol. 30, Issue 10 https://doi.org/10.1021/acs.chemmater.7b05133	journal	April 2018
From the Metal to the Molecule—Ternary Bismuth Subhalides Ruck, Michael Angewandte Chemie International Edition, Vol. 40, Issue 7 https://doi.org/10.1002/1521-3773(20010401)40:7<1182::AID-ANIE1182>3.0.CO;2-B	journal	April 2001
Exploratory Synthesis: The Fascinating and Diverse Chemistry of Polar Intermetallic Phases ^† † This article is based on J. D. Corbett’s address upon receipt of the 2008 American Chemical Society’s F. Albert Cotton Award in Synthetic Inorganic Chemistry sponsored by the F. Albert Cotton Endowment Fund. Corbett, John D. Inorganic Chemistry, Vol. 49, Issue 1 https://doi.org/10.1021/ic901305g	journal	January 2010
Chains of Condensed IrIn ₇ Polyhedra in Ir ₂ In ₁₂ Ga ₄ O ₁₅: Chains of Condensed IrIn ₇ Polyhedra in Ir ₂ In ₁₂ Ga ₄ O ₁₅ Köhler, Jürgen; Dinnebier, Robert; Friedrich, Holger A. Zeitschrift für anorganische und allgemeine Chemie, Vol. 640, Issue 15 https://doi.org/10.1002/zaac.201400339	journal	October 2014
Direct comparison of photoemission spectroscopy and in situ Kelvin probe work function measurements on indium tin oxide films Beerbom, M. M.; Lägel, B.; Cascio, A. J. Journal of Electron Spectroscopy and Related Phenomena, Vol. 152, Issue 1-2, p. 12-17 https://doi.org/10.1016/j.elspec.2006.02.001	journal	June 2006
Molecular Spectroscopy by Means of ESCA II. Sulfur compounds. Correlation of electron binding energy with structure Lindberg, B. J.; Hamrin, K.; Johansson, G. Physica Scripta, Vol. 1, Issue 5-6 https://doi.org/10.1088/0031-8949/1/5-6/020	journal	May 1970
Search and design of nonmagnetic centrosymmetric layered crystals with large local spin polarization Liu, Qihang; Zhang, Xiuwen; Jin, Hosub Physical Review B, Vol. 91, Issue 23 https://doi.org/10.1103/PhysRevB.91.235204	journal	June 2015
The Metal Flux: A Preparative Tool for the Exploration of Intermetallic Compounds Kanatzidis, Mercouri G.; Pöttgen, Rainer; Jeitschko, Wolfgang Angewandte Chemie International Edition, Vol. 44, Issue 43 https://doi.org/10.1002/anie.200462170	journal	November 2005
Metal Anions in Metal-Rich Compounds and Polar Intermetallics Whangbo, Myung-Hwan; Lee, Changhoon; Köhler, Jürgen European Journal of Inorganic Chemistry, Vol. 2011, Issue 26 https://doi.org/10.1002/ejic.201100378	journal	July 2011
Large Tunable Rashba Spin Splitting of a Two-Dimensional Electron Gas in ${Bi}_{2} {Se}_{3}$ King, P. D. C.; Hatch, R. C.; Bianchi, M. Physical Review Letters, Vol. 107, Issue 9 https://doi.org/10.1103/PhysRevLett.107.096802	journal	August 2011
The crystal structure of the room temperature modification of indium chloride, InCl van den Berg, J. M. Acta Crystallographica, Vol. 20, Issue 6 https://doi.org/10.1107/S0365110X66002032	journal	November 1966
Syntheses, structures, and properties of six novel alkali metal tin sulfides: K2Sn2S8, .alpha.-Rb2Sn2S8, .beta.-Rb2Sn2S8, K2Sn2S5, Cs2Sn2S6, and Cs2SnS14 Liao, Ju Hsiou; Varotsis, Constantinos; Kanatzidis, Mercouri G. Inorganic Chemistry, Vol. 32, Issue 11 https://doi.org/10.1021/ic00063a042	journal	May 1993
Challenges for semiconductor spintronics Awschalom, David D.; Flatté, Michael E. Nature Physics, Vol. 3, Issue 3 https://doi.org/10.1038/nphys551	journal	March 2007
High resolution x‐ray absorption spectroscopy with absolute energy calibration for the determination of absorption edge energies Kraft, S.; Stümpel, J.; Becker, P. Review of Scientific Instruments, Vol. 67, Issue 3 https://doi.org/10.1063/1.1146657	journal	March 1996
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
Surface versus bulk contributions to the Rashba splitting in surface systems Nuber, A.; Braun, J.; Forster, F. Physical Review B, Vol. 83, Issue 16 https://doi.org/10.1103/PhysRevB.83.165401	journal	April 2011
Discovery-Synthesis, Design, and Prediction of Chalcogenide Phases Kanatzidis, Mercouri G. Inorganic Chemistry, Vol. 56, Issue 6 https://doi.org/10.1021/acs.inorgchem.7b00188	journal	March 2017
Hidden spin polarization in inversion-symmetric bulk crystals Zhang, Xiuwen; Liu, Qihang; Luo, Jun-Wei Nature Physics, Vol. 10, Issue 5 https://doi.org/10.1038/nphys2933	journal	April 2014
Stacked topological insulator built from bismuth-based graphene sheet analogues Rasche, Bertold; Isaeva, Anna; Ruck, Michael Nature Materials, Vol. 12, Issue 5 https://doi.org/10.1038/nmat3570	journal	March 2013
Spin-Orbit Coupling Effects in Zinc Blende Structures Dresselhaus, G. Physical Review, Vol. 100, Issue 2 https://doi.org/10.1103/PhysRev.100.580	journal	October 1955
At the edge of covalency: metallic nanotubes, low-dimensional metals and clusters Ruck, Michael Zeitschrift für Kristallographie - Crystalline Materials, Vol. 225, Issue 5 https://doi.org/10.1524/zkri.2010.1244	journal	January 2010
[PtIn6]10+ Octahedra in PtIn7F13: The First Compound of a New Class of Metal-Cluster Fluorides Köhler, Jürgen; Chang, Jen-Hui Angewandte Chemie International Edition, Vol. 39, Issue 11 https://doi.org/10.1002/1521-3773(20000602)39:11<1998::AID-ANIE1998>3.0.CO;2-X	journal	June 2000
Magnetically engineered spintronic sensors and memory Parkin, S.; Kaiser, C. Proceedings of the IEEE, Vol. 91, Issue 5 https://doi.org/10.1109/JPROC.2003.811807	journal	May 2003
Hybridization Gap and Dresselhaus Spin Splitting in EuIr ₄ In ₂ Ge ₄ Calta, Nicholas P.; Im, Jino; Rodriguez, Alexandra P. Angewandte Chemie International Edition, Vol. 54, Issue 32 https://doi.org/10.1002/anie.201504315	journal	June 2015
Changes in charge density vs changes in formal oxidation states: The case of Sn halide perovskites and their ordered vacancy analogues Dalpian, Gustavo M.; Liu, Qihang; Stoumpos, Constantinos C. Physical Review Materials, Vol. 1, Issue 2 https://doi.org/10.1103/PhysRevMaterials.1.025401	journal	July 2017
Hybridization Gap and Dresselhaus Spin Splitting in EuIr ₄ In ₂ Ge ₄ Calta, Nicholas P.; Im, Jino; Rodriguez, Alexandra P. Angewandte Chemie, Vol. 127, Issue 32 https://doi.org/10.1002/ange.201504315	journal	June 2015
Remarkable Metal-Rich Ternary Chalcogenides Sc14M3Te8 (M: Ru, Os). Chen, Ling; Corbett, John D. ChemInform, Vol. 34, Issue 19 https://doi.org/10.1002/chin.200319004	journal	May 2003
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
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
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
LOBSTER: A tool to extract chemical bonding from plane-wave based DFT Maintz, Stefan; Deringer, Volker Ludwig; Tchougréeff, Andrei L. RWTH Aachen University https://doi.org/10.18154/rwth-2017-01555	text	January 2016
Large Tunable Rashba Spin Splitting of a Two-Dimensional Electron Gas in Bi2Se3 P., King,; R., Hatch,; M., Bianchi, American Physical Society https://doi.org/10.5167/uzh-49251	text	January 2011
The Metal Flux: A Preparative Tool for the Exploration of Intermetallic Compounds Kanatzidis, Mercouri G.; Poettgen, Rainer; Jeitschko, Wolfgang ChemInform, Vol. 37, Issue 1 https://doi.org/10.1002/chin.200601226	journal	January 2006
Spintronics: fundamentals and applications Zutic, Igor; Fabian, Jaroslav; Sarma, S. Das Universität Regensburg https://doi.org/10.5283/epub.1823	text	January 2004
Interplay of Rashba/Dresselhaus spin splittings probed by photogalvanic spectroscopy –A review Ganichev, Sergey; Golub, Leonid E. Universität Regensburg https://doi.org/10.5283/epub.34931	text	January 2014
Changes in charge density vs changes in formal oxidation states: The case of Sn halide perovskites and their ordered vacancy analogues Dalpian, Gustavo M.; Liu, Qihang; Stoumpos, Constantinos C. arXiv https://doi.org/10.48550/arxiv.1705.01565	text	January 2017

Similar Records

The Subchalcogenides Ir₂In₈Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation

Journal Article · Wed Mar 11 00:00:00 EDT 2020 · Journal of the American Chemical Society · OSTI ID:1597262

Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; +8 more

High-pressure Synthesis of the BiVO₃ perovskite

Journal Article · Thu Jun 20 00:00:00 EDT 2019 · Physical Review Materials · OSTI ID:1597262

Klein, R. A.; Altman, A. B.; Saballos, R. J.; +7 more

Nanoscale Mapping and Defect-Assisted Manipulation of Surface Plasmon Resonances in 2D Bi₂Te₃/Sb₂Te₃ In-Plane Heterostructures

Journal Article · Thu Mar 24 00:00:00 EDT 2022 · Advanced Optical Materials · OSTI ID:1597262

Moradifar, Parivash; Nixon, Austin G.; Sharifi, Tiva; +4 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Title: Ir6In32S21, a polar, metal-rich semiconducting subchalcogenide

Citation Formats

References (55)

Linked Research (1)

Similar Records

Related Subjects

Title: Ir₆In₃₂S₂₁, a polar, metal-rich semiconducting subchalcogenide