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Innovative & Complex Metal-Rich Materials
This research is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering.
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A double salt of cesium platinum and cesium hydride has been made for the first time. Simple salts, like sodium chloride, contain one positively charged element and one negatively charged element. This double salt contains two anions (Pt2- and H-) and one cation (Cs+). Einstein’s Theory of Relativity helps explain how this is possible.
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The unusual combination of the bonding ability of gold and the magnetic nature of manganese is shown in a series of new ternary compounds. Explorations in new intermetallic chemistry led to the discovery of the new series of materials, comprised of gold, manganese, and a rare-earth metal element (either gadolinium or yttrium). The new materials exploit the properties of gold, known for its high electronegativity (ability to attract electrons), and manganese, an element known for its magnetic properties.
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A new material made from three elements — yttrium, manganese and gold — woven together in an unusual crystalline lattice shows surprisingly diverse characteristics for each element. The manganese electrons are localized at the manganese sites, whereas the yttrium and gold electrons are delocalized. Yttrium in this rhombohedral lattice tends to give up electrons and thus be positively charged whereas the gold prefers to take on electrons. The magnetic characteristics are also unusual with electron spins strongly aligned only at the manganese sites.
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Gold atoms can be the key to making new materials with fascinating and frequently beautiful arrangements of atoms. For example, materials made from gold, sodium and gallium contain gold atoms arranged into tetrahedra, rods of hexagonal stars, or diamond-like three-dimensional frameworks. For certain gold concentrations, gold interacts in a novel way with sodium and stabilizes the formation of icosahedra.
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Discovery and detailed investigations of the ternary calcium–gold–bismuth system revealed, for the first time, the chemistry of a rare, spinodal decomposition and helped translate the classical Gibbs criteria for phase stability and spinodal decomposition into modern, chemist-friendly language.
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An international team of researchers has discovered a new type of defect in an unconventional material known as a quasicrystal. Mysterious nanodomains observed on the surfaces of quasicrystals led to the discovery. Quasicrystals were already known to have a unique defect type, known as a phason flip, which can form at the surface. The new defect type is related, but unlike the phason flip is not restricted to the surface; it bridges the surface and the bulk.
Publications
2018
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Sangeetha N.S.; Smetana V.; Mudring A.V.; Johnston D.C. Antiferromagnetism in semiconducting SrMn2Sb2 and BaMn2Sb2 single crystals. Physical Review B 2018 97, 014402. Abstract
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Celania C.; Smetana V.; Mudring A.V. Bringing order to large-scale disordered complex metal alloys: Gd2Au15-xSbx and BaAuxGa12-x. Crystengcomm 2018 20, 348-355. Abstract
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Smetana V.; Mudryk Y.; Pecharsky V.K.; Mudring A.V. Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1, T2)(5)In (T = Cu, Ag, Au). Journal of Materials Chemistry C 2018 6, 1353-1362. Abstract
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Celania C.; Smetana V.; Provino A.; Manfrinetti P.; Mudring A.V. R-14(Au, M)(51) (R = Y, La-Nd, Sm-Tb, Ho, Er, Yb, Lu; M = Al, Ga, Ge, In, Sn, Sb, Bi): Stability Ranges and Site Preference in the Gd14Ag51 Structure Type. Design 2018 18, 993-1001. Abstract
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Lamichhane T.N.; Taufour V.; Palasyuk A.; Lin Q.S.; Bud'ko S.L.; Canfield P.C. Ce3-xMgxCo9: Transformation of a Pauli Paramagnet into a Strong Permanent Magnet. Physical Review Applied 2018 9, 024023. Abstract
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Sangeetha N.S.; Anand V.K.; Cuervo-Reyes E.; Smetana V.; Mudring A.V.; Johnston D.C. Enhanced moments of Eu in single crystals of the metallic helical antiferromagnet EuCo2-yAs2. Physical Review B 2018 97, 27. Abstract
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Toombs A.; Miller G.J. Rhombohedral Distortion of the Cubic MgCu2-Type Structure in Ca2Pt3Ga and Ca2Pd3Ga. Crystals 2018 8, 186. Abstract
2017
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Smetana V.; Steinberg S.; Mudring A.V. Layered Structures and Disordered Polyanionic Nets in the Cation Poor Polar Intermetallics CsAu1.4Ga2.8 and CsAu2Ga2.6. Design 2017 17, 693-700. Abstract
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Bigun I.; Steinberg S.; Smetana V.; Mudryk Y.; Kalychak Y.; Havela L.; Pecharsky V.; Mudring A.V. Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials. Chemistry of Materials 2017 29, 2599-2614. Abstract
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Bigun I.; Smetana V.; Mudryk Y.; Hlova I.; Dzevenko M.; Havela L.; Kalychak Y.; Pecharsky V.; Mudring A.V. EuNi5InH1.5-x (x=0-1.5): hydrogen induced structural and magnetic transitions. Journal of Materials Chemistry C 2017 5, 2994-3006. Abstract
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Cao G.H.; Oertel C.G.; Schaarschuch R.; Skrotzki W.; Russell A.M. TEM study of the martensitic phases in the ductile DyCu and YCu intermetallic compounds. Acta Materialia 2017 132, 345-353. Abstract
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Celania C.; Smetana V.; Provino A.; Pecharsky V.; Manfrinetti P.; Mudring A.V. R(3)Au(9)Pn (R = Y, Gd-Tm; Pn = Sb, Bi): A Link between Cu10Sn3 and Gd14Ag51. Inorganic Chemistry 2017 56, 7247-7256. Abstract
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Thimmaiah S.; Tener Z.; Lamichhane T.N.; Canfield P.C.; Miller G.J. Crystal structure, homogeneity range and electronic structure of rhombohedral gamma-Mn5Al8. Zeitschrift Fur Kristallographie-Crystalline Materials 2017 232, 601-610. Abstract
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Lin Q.S.; Aguirre K.; Saunders S.M.; Hackett T.A.; Liu Y.; Taufour V.; Paudyal D.; Budko S.; Canfield P.C.; Miller G.J. Polar Intermetallics Pr5Co2Ge3 and Pr7Co2Ge4 with Planar Hydrocarbon-Like Metal Clusters. Chemistry-a European Journal 2017 23, 10516-10521. Abstract
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Celania C.; Smetana V.; Mudring A.V. Crystal structures and new perspectives on Y3Au4 and Y(14)Au51. Acta Crystallographica Section C-Structural Chemistry 2017 73, 692-+. Abstract
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Li M.; Smetana V.; Wilk-Kozubek M.; Mudryk Y.; Alammar T.; Pecharsky V.K.; Mudring A.V. Open-Framework Manganese(II) and Cobalt(II) Borophosphates with Helical Chains: Structures, Magnetic, and Luminescent Properties. Inorganic Chemistry 2017 56, 11104-11112. Abstract
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Smetana V.; Rhodehouse M.; Meyer G.; Mudring A.V. Gold Polar Intermetallics: Structural Versatility through Exclusive Bonding Motifs. Accounts of Chemical Research 2017 50, 2633-2641. Abstract
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Sangeetha N.S.; Smetana V.; Mudring A.V.; Johnston D.C. Anomalous Composition-Induced Crossover in the Magnetic Properties of the Itinerant-Electron Antiferromagnet Ca1-xSrxCo2-yAs2. Physical Review Letters 2017 119, 6. Abstract
2016
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Kaluarachchi U.S.; Lin Q.S.; Xie W.W.; Taufour V.; Bud'ko S.L.; Miller G.J.; Canfield P.C. Superconducting properties of Rh9In4S4 single crystals. Physical Review B 2016 93, 094524. Abstract
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Lamichhane T.N.; Taufour V.; Thimmaiah S.; Parker D.S.; Bud'ko S.L.; Canfield P.C. A study of the physical properties of single crystalline Fe5B2P. Journal of Magnetism and Magnetic Materials 2016 401, 525-531. Abstract
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Lin Q.S.; Zhu R.; Miller G.J. Tuning Complexity by Lithiation: A Family of Intergrowth Structures Using Condensed hypho-Icosahedra in the Li-Doped Ca-Zn System. Inorganic Chemistry 2016 55, 5041-5050. Abstract
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Lamichhane T.N.; Taufour V.; Masters M.W.; Parker D.S.; Kaluarachchi U.S.; Thimmaiah S.; Bud'ko S.L.; Canfield P.C. Discovery of ferromagnetism with large magnetic anisotropy in ZrMnP and HfMnP. Applied Physics Letters 2016 109, 092402. Abstract
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Pham J.; Kreyssig A.; Goldman A.I.; Miller G.J. An Icosahedral Quasicrystal and Its 1/0 Crystalline Approximant in the Ca-Au-Al System. Inorganic Chemistry 2016 55, 10425-10437. Abstract
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Provino A.; Sangeetha N.S.; Dhar S.K.; Smetana V.; Gschneidner K.A.; Pecharsky V.K.; Manfrinetti P.; Mudring A.V. New R3Pd5 Compounds (R = Sc, Y, Gd-Lu): Formation and Stability, Crystal Structure, and Antiferromagnetism. Design 2016 16, 6001-6015. Abstract
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Provino A.; Steinberg S.; Smetana V.; Pararmanik U.; Manfrinetti P.; Dhar S.K.; Mudring A.V. Gold in the Layered Structures of R3Au7Sn3: From Relativity to Versatility. Design 2016 16, 5657-5668. Abstract
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Provino A.; Sangeetha N.S.; Dhar S.K.; Smetana V.; Gschneidner K.A.; Pecharsky V.K.; Manfrinetti P.; Mudring A.V. New R3Pd5 Compounds (R = Sc, Y, Gd-Lu): Formation and Stability, Crystal Structure, and Antiferromagnetism. Design 2016 16, 6001-6015. Abstract
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Smetana V.; Mudring A.V. Cesium Platinide Hydride 4Cs(2)Pt center dot CsH: An Intermetallic Double Salt Featuring Metal Anions. Angewandte Chemie-International Edition 2016 55, 14838-14841. Abstract
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Thimmaiah S.; Taufour V.; Saunders S.; March S.; Zhang Y.M.; Kramer M.J.; Canfield P.C.; Miller G.J. Stabilization of a Metastable Fibrous Bi-21.2(1)(Mn1-xCox)(20) Phase with Pseudo-Pentagonal Symmetry Prepared Using a Bi Self-Flux. Chemistry of Materials 2016 28, 8484-8488. Abstract
2015
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Lin Q.S.; Zhang Y.M.; Taufour V.; Lamichhane T.N.; Bud'ko S.L.; Canfield P.C.; Dennis K.; Miller G. On the Structure and Stability of BaAl4-Type Ordered Derivatives in the Sr-Au-Sn System for the 600 degrees C Section. Zeitschrift Fur Anorganische Und Allgemeine Chemie 2015 641, 375-382. Abstract
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Xie W.W.; Liu J.; Pecharsky V.; Miller G.J. gamma-Brasses with Spontaneous Magnetization: Atom Site Preferences and Magnetism in the Fe-Zn and Fe-Pd-Zn Phase Spaces. Zeitschrift Fur Anorganische Und Allgemeine Chemie 2015 641, 270-278. Abstract
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Lin Q.S. Lithiation-Induced Zinc Clustering of Zn-3, Zn-12, and Zn-18 Units in Zintl-Like Ca similar to 30Li3+xZn60-x (x=0.44-1.38). Inorganic Chemistry 2015 54, 922-929. Abstract
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Miller G.J.; Meyer G.; Mudring A.V. Corbett Special Issue Editorial. Inorganic Chemistry 2015 54, 705-706. Abstract
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Smetana V.; Kienle L.; Duppel V.; Simon A. Synthesis, Crystal Structure, and TEM Analysis of Sr19Li44 and Sr3Li2: A Reinvestigation of the Sr-Li Phase Diagram. Inorganic Chemistry 2015 54, 733-739. Abstract
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Smetana V.; Steinberg S.; Card N.; Mudring A.V.; Miller G.J. Crystal Structure and Bonding in BaAu5Ga2 and AeAu(4+x)Ga(3-x) (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae-Au-Ga Systems. Inorganic Chemistry 2015 54, 1010-1018. Abstract
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Kaluarachchi U.S.; Xie W.W.; Lin Q.S.; Taufour V.; Bud'ko S.L.; Miller G.J.; Canfield P.C. Superconductivity versus structural phase transition in the closely related Bi2Rh3.5S2 and Bi2Rh3S2. Physical Review B 2015 91, 174513. Abstract
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Thimmaiah S.; Miller G.J. Influence of Valence Electron Concentration on Laves Phases: Structures and Phase Stability of Pseudo-Binary MgZn2-xPdx. Zeitschrift Fur Anorganische Und Allgemeine Chemie 2015 641, 1486-1494. Abstract
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Provino A.; Steinberg S.; Smetana V.; Kulkarni R.; Dhar S.K.; Manfrinetti P.; Mudring A.V. Gold-rich R3Au7Sn3: establishing the interdependence between electronic features and physical properties. Journal of Materials Chemistry C 2015 3, 8311-8321. Abstract
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Lin Q.S.; Taufour V.; Zhang Y.M.; Wood M.; Drtina T.; Bud'ko S.L.; Canfield P.C.; Miller G.J. Oxygen trapped by rare earth tetrahedral clusters in Nd4FeOS6: Crystal structure, electronic structure, and magnetic properties. Journal of Solid State Chemistry 2015 229, 41-48. Abstract
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Steinberg S.; Card N.; Mudring A.V. From the Ternary Eu(Au/In)(2) and EuAu4(Au/In)(2) with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)(6) Structure. Inorganic Chemistry 2015 54, 8187-8196. Abstract
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Smetana V.; Steinberg S.; Mudryk Y.; Pecharsky V.; Miller G.J.; Mudring A.V. Cation-Poor Complex Metallic Alloys in Ba(Eu)-Au-Al(Ga) Systems: Identifying the Keys that Control Structural Arrangements and Atom Distributions at the Atomic Level. Inorganic Chemistry 2015 54, 10296-10308. Abstract
2014
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Kazem N.; Xie W.W.; Ohno S.; Zevalkink A.; Miller G.J.; Snyder G.J.; Kauzlarich S.M. 3). Chemistry of Materials 2014 26, 1393-1403. Abstract
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Smetana V.; Corbett J.D.; Miller G.J. Complex Polyanionic Nets in RbAu4.01(2)Ga8.64(5) and CsAu5Ga9: The Role of Cations in the Formation of New Polar Intermetallics. Zeitschrift Fur Anorganische Und Allgemeine Chemie 2014 640, 790-796. Abstract
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Smetana V.; Corbett J.D.; Miller G.J. MgAuGa and MgAu2Ga: first representatives of the Mg-Au-Ga system. Acta Crystallographica Section C-Structural Chemistry 2014 70, 355-+. Abstract
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Xie W.W.; Miller G.J. New Co-Pd-Zn gamma-Brasses with Dilute Ferrimagnetism and Co2Zn11 Revisited: Establishing the Synergism between Theory and Experiment. Chemistry of Materials 2014 26, 2624-2634. Abstract
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Samal S.L.; Pandey A.; Johnston D.C.; Corbett J.D.; Miller G.J. = 1). Chemistry of Materials 2014 26, 3209-3218. Abstract
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Lin Q.S.; Miller G.J.; Corbettt J.D. Ordered BaAl4-Type Variants in the BaAuxSn4-x System: A Unified View on Their Phase Stabilities versus Valence Electron Counts. Inorganic Chemistry 2014 53, 5875-5877. Abstract
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Provino A.; Manfrinetti P.; Gschneidner K.A.; Dhar S.K.; Schlagel D.L.; Lograsso T.A.; Miller G.J.; Thimmaiah S.; Wang H.; Russell A.M.; Becker A.; Mudryk Y. Self-assembled nano- to micron-size fibers from molten R11Ni4In9 intemietallics. Acta Materialia 2014 73, 27-36. Abstract
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Mizutani U.; Inukai M.; Sato H.; Zijlstra E.S.; Lin Q. e/a classification of Hume-Rothery Rhombic Triacontahedron-type approximants based on all-electron density functional theory calculations. Philosophical Magazine 2014 94, 2571-2594. Abstract
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Mizutani U.; Sato H.; Inukai M.; Zijlstra E.S.; Lin Q.; Corbett J.D.; Miller G.J. Fermi Surface-Brillouin Zone Interactions in 2/1-2/1-2/1 Bergman-Type Approximant Na27Au27Ga31. Acta Physica Polonica A 2014 126, 535-538. Abstract
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Lin Q.S.; Corbett J.D. The low-temperature form of calcium gold stannide, CaAuSn. Acta Crystallographica Section C-Structural Chemistry 2014 70, 773-U120. Abstract
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Liu J.; Xie W.; Gschneidner K.A.; Miller G.J.; Pecharsky V.K. Spin-glass behavior in a giant unit cell compound Tb117Fe52Ge113.8(1). Journal of Physics-Condensed Matter 2014 26, 416003. Abstract
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Mishra T.; Lin Q.S.; Corbett J.D. Pronounced matrix effect in YbMo2Al4-type Ca(AuxZn2-x)Au-4 (x=0.09-0.89). Journal of Solid State Chemistry 2014 218, 103-108. Abstract
2013
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Samal S.L.; Pandey A.; Johnston D.C.; Corbett J.D. Y3MnAu5: Three Distinctive d-Metal Functions in an Intergrown Cluster Phase. Journal of the American Chemical Society 2013 135, 910-917. Abstract
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Brgoch J.; Ran S.; Thimmaiah S.; Canfield P.C.; Miller G.J. Determination of a new structure type in the Sc-Fe-Ge-Sn system. Journal of Alloys and Compounds 2013 546, 300-306. Abstract
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Thimmaiah S.; Miller G.J. Rhombohedrally Distorted gamma-Au5-xZn8+y Phases in the Au-Zn System. Inorganic Chemistry 2013 52, 1328-1337. Abstract
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Wang L.L.; Huang M.L.; Thimmaiah S.; Alam A.; Bud'ko S.L.; Kaminski A.; Lograsso T.A.; Canfield P.; Johnson D.D. Native defects in tetradymite Bi-2(TexSe3-x) topological insulators. Physical Review B 2013 87, 125303. Abstract
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Samal S.L.; Gulo F.; Corbett J.D. Cluster Chemistry in Electron-Poor Ae-Pt-Cd Systems (Ae = Ca, Sr, Ba): (Sr,Ba)Pt2Cd4, Ca6Pt8Cd16, and Its Known Antitype Er6Pd16Sb8. Inorganic Chemistry 2013 52, 2697-2704. Abstract
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Lin X.; Bud'ko S.L.; Thimmaiah S.; Canfield P.C. Anisotropic magnetization, resistivity and heat capacity of single crystalline R3Ni2-xSn7 (R=La, Ce, Pr and Nd). Journal of Magnetism and Magnetic Materials 2013 331, 53-61. Abstract
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Mudryk Y.; Manfrinetti P.; Smetana V.; Liu J.; Fornasini M.L.; Provino A.; Pecharsky V.K.; Miller G.J.; Gschneidner K.A. Structural disorder and magnetism in rare-earth (R) R117Co54+xSn112 +/- y. Journal of Alloys and Compounds 2013 557, 252-260. Abstract
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Liu J.; Smetana V.; Gschneidner K.A.; Miller G.J.; Pecharsky V.K. The crystal structure and magnetic properties of Pr117Co56.7Ge112. Journal of Applied Physics 2013 113, 17e120. Abstract
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Wang C.L.; Zou J.D.; Liu J.; Mudryk Y.; Gschneidner K.A.; Long Y.; Smetana V.; Miller G.J.; Pecharsky V.K. Crystal structure, magnetic properties, and the magnetocaloric effect of Gd5Rh4 and GdRh. Journal of Applied Physics 2013 113, 17a904. Abstract
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Xiao C.X.; Wang L.L.; Maligal-Ganesh R.V.; Smetana V.; Walen H.; Thiel P.A.; Miller G.J.; Johnson D.D.; Huang W.K. Intermetallic NaAu2 as a Heterogeneous Catalyst for Low-Temperature CO Oxidation. Journal of the American Chemical Society 2013 135, 9592-9595. Abstract
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Xie W.W.; Thimmaiah S.; Lamsal J.; Liu J.; Heitmann T.W.; Quirinale D.; Goldman A.I.; Pecharsky V.; Miller G.J. beta-Mn-Type Co8+xZn12-x as a Defect Cubic Laves Phase: Site Preferences, Magnetism, and Electronic Structure. Inorganic Chemistry 2013 52, 9399-9408. Abstract
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Gulo F.; Samal S.L.; Corbett J.D. Substantial Cd-Cd Bonding in Ca6PtCd11: A Condensed Intermetallic Phase Built of Pentagonal Cd, and Rectangular Cd4/2Pt Pyramids. Inorganic Chemistry 2013 52, 10112-10118. Abstract
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Smetana V.; Corbett J.D.; Miller G.J. Na8Au9.8(4)Ga7.2 and Na17Au15.87(2)Ga46.63: The diversity of pseudo 5-fold 0 Cross Mark symmetries in the Na-Au-Ga system. Journal of Solid State Chemistry 2013 207, 21-28. Abstract
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Smetana V.; Miller G.J.; Corbett J.D. Polyclusters and Substitution Effects in the Na-Au-Ga System: Remarkable Sodium Bonding Characteristics in Polar Intermetallics. Inorganic Chemistry 2013 52, 12502-12510. Abstract
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Yuen C.D.; Miller G.J.; Lei H.P.; Wang C.Z.; Thiel P.A. Structure of the clean Gd5Ge4(010) surface. Journal of Physics-Condensed Matter 2013 25, 485002. Abstract