Chemistry Perspectives to Novel Quantum Materials
My research group will mainly be on non-molecular inorganic materials involving almost the whole periodic table and diverse theories and methods to design, predict and synthesize new materials. We will work to answer three general questions: 1. What are the chemical structures and physical properties of new metal-rich compounds? 2. Why do they crystallize in their structure types and exhibit such physical properties? 3. How does the structure influence physical properties? To address these problems, powder and single crystal X-ray diffraction and neutron powder diffraction, if necessary, will be utilized to determine the crystal structure and phase information, in addition to magnetic and electrical conductivity measurements to be analyzed by a Quantum Design Physical Property Measurement System. With respect to theory, first-principle electronic structure calculations based on TB-LMTO-ASA, WIEN2k, and VASP packages will be employed to investigate patterns of atomic arrangements, structural phase transitions, magnetic ordering, superconductivity, and other properties.
Critical Charge-Transfer Pairs and Electron Counting Rules for Superconductivity and Magnetism
“Critical pairs” of atoms in the periodic table can be postulated where the balance between covalent and ionic bonding leads to just the right kind of charge transfer between the atoms so that the bond valence responds to perturbations from the other forces present to lead to instabilities in a compound’s electronic system that are delicately balanced with other factors such as electron-lattice coupling, magnetism or superconductivity. Well-known examples of such critical charge-transfer pairs in the periodic table are Cu-O and Fe-As, which lead to high-temperature superconducting properties. In contrast to the quantitative k space or Fermi surface view in physics, the concept of critical charge transfer pairs is clearly a qualitative, real space view of what can give rise to interesting physical properties. The design of new W5Si3-type superconductors T5Sb3-xRux (T = Hf, Zr) lead us to propose that Ru-Sb may be a third critical charge-transfer pair of elements for superconductivity in the periodic table along with Cu-O and Fe-As.
Moreover, based on our empirical theory- a fragmental formalism for making superconductors, we found that the superconductor LaRu4Sb12 could be viewed as stuffing RuSb6 octahedra at (¼, ¼, ¼) site in W-type “La”. Similarly, another superconductor Ca3Rh4Sn13 can be considered as putting RhSn6 trigonal prisms at (¼, ¼, ¼) site in Nb3Ge-type “Ca3Sn”.
Valence electron counting rules are favored by chemists because they can be useful to rationalize and predict the chemical behaviors of substances, for example, their structures and electrical properties. The Zintl–Klemm concept is such a valence electron counting scheme that has achieved wide usage among molecular and solid-state disciplines, similar to the octet (Lewis–Langmuir) rule applied to problems in organic, main-group inorganic, and biochemistry and the 18-electron counting rule for organometallic complexes.
Classical Zintl phases are considered to be valence precise semiconductors with electropositive cations (typically, Alkali and Alkali-earth or Rare-earth elements) donating their electrons to electronegative anions, which use electrons to form bonds in order to satisfy their valence. At the border between classical Zintl phases and normal metallic phases, for compounds called polar intermetallics, the semiconducting band gap diminishes and metallic conductivity can result. These compounds can, for example, be made good thermoelectric materials. Moreover, a new series of superconductors, like ReGa5, have been predicted and synthesized on the broader of Zintl phases with pseudo semiconducting band gap.
Spin-Orbit Coupling (SOC) Effects on Magnetism in 4d/5d Transition Metal Halides
The importance of spin-orbit coupling (SOC) to generate the electronic ground state in 4d/5d-based compounds has emerged and many novel routes to host unconventional physical states have been revealed, for example, quantum spin liquids, Weyl semimetals, and axion insulators. The major experimental and theoretical efforts in quantum spin-liquid state study have been solely undertaken to search for novel spin-orbit coupling systems in the various d5 system with S=1/2, for example, a-RuCl3. Few references have been reported concerning other situations, for example, S=3/2, because octahedral d3 configurations are expected to be orbitally quenched S= 3/2 states – in which case SOC enters only as a 3rd order perturbation. A common magnetic phenomenon related to SOC is spin-canting, which has been widely observed and investigated in many different systems. Spin-canting means spins are tilted a small angle about their axis rather than being accurately parallel. Generally, spin canting can be considered as a strong hint of large SOC in the different systems. We focus on the study of SOC on octahedral d3 configurations with spin-canting.
High-Pressure Single Crystal X-ray Diffraction on Solid State Materials
Pressure provides a useful tool to precisely tune the interatomic distances in quantum materials, which is critical to understanding the organizing principles that govern electron dynamics with strong quantum fluctuations. We focus on the study of crystal structure and physical properties under high pressure.
89. Gui, X.; Xie, W.* Crystal Structure, Magnetism, and Electronic Properties of a Rare-Earth-Free Ferromagnet: MnPt5As, Chem. Mater. 2020, Just Accepted Manuscript. DOI: 10.1021/acs.chemmater.0c00244.
88. Gui, X., Górnicka, K., Chen, Q., Zhou, H., Klimczuk, T. Xie, W.* Superconductivity in Metal-Rich Chalcogenide Ta2Se. Inorg. Chem. 2020, Article ASAP. DOI: 10.1021/acs.inorgchem.9b03656.
87. Ryżyńska, Z., Chamorro, J.R., McQueen, T.M., Wiśniewski, P., Kaczorowski, D., Xie, W., Cava, R.J., Klimczuk, T., Winiarski, M.J. RuAl6–an endohedral aluminide superconductor. Chem. Mater. , 2020, accepted.
86. Zhou, H., Chang, G., Wang, G., Gui, X., Xu, X., Yin, J.X., Guguchia, Z., Zhang, S.S., Chang, T.R., Lin, H. Xie, W., Enhanced anomalous Hall effect in the magnetic topological semimetal Co3Sn 2-xInxS2. Phys. Rev. B, 2020, 101(12), 125121。
85. Zhu, Y.; Gui, X.; Wang, Y.; Graf, D.; Xie, W.; Hu, J.; Mao, Z. Evidence from Transport Measurements for YRh6Ge4: Being a Triply Degenerate Nodal Semimetal. Phys. Rev. B 2020, 101 (3), 035133.
84. Blawat, J.; Swatek, P. W.; Das, D.; Kaczorowski, D.; Jin, R.; Xie, W.* Pd-P Antibonding Interactions in APd2P2 (A = Ca and Sr) Superconductors. Phys. Rev. Materials 2020, 4 (1), 014801.
83. Marshall, M.; Blawat, J.; Xing, L.; Winiarski, M. J.; Klimczuk, T.; Jin, R.; Xie, W.* Low-Dimensional Magnetic Semimetal CrAl35Se3. Inorg. Chem. 2019, 58 (20), 13960–13968.
82. Zhang, Z.; Gustin, L.; Xie, W.; Lian, J.; Valsaraj, K. T.; Wang, J. Effect of Solution Chemistry on the Iodine Release from Iodoapatite in Aqueous Environments. Nucl. Mater. 2019, 525, 161–170.
81. Marshall, M.; Górnicka, K.; Mudiyanselage, R. S. D.; Klimczuk, T.; Xie, W.* New Tetragonal ReGa5(M) (M = Sn, Pb, Bi) Single Crystals Grown from Delicate Electrons Changing. Crystals 2019, 9 (10), 527.
80. Karna, S. K.; Womack, F. N.; Chapai, R.; Young, D. P.; Marshall, M.; Xie, W.; Graf, D.; Wu, Y.; Cao, H.; DeBeer-Schmitt, L.; Adams, P. W.; Jin, R.; DiTusa, J. F. Observation of a Mesoscopic Magnetic Modulation in Chiral Mn1/3NbS2. Rev. B 2019, 100 (18), 184413.
79. Wang, Z.; Cheng, S.; Chang, T.-R.; Ma, W.; Xu, X.; Zhou, H.; Wang, G.; Gui, X.; Zhu, H.; Zhu, Z.; Zheng, H.; Jia, J.; Wang, J.; Xie, W.; Jia, S. Highly Mobile Carriers in a Candidate of Quasi-Two-Dimensional Topological Semimetal AuTe2 APL Materials 2019, 7(10), 101110.
78. X Gui, Z Sobczak, T Klimczuk, W Xie* “Pt-rich intermetallic APt8P2 (A= Ca and La).” J. Alloys Compds. 798, 53-58(2019).
77. M Marshall, L Xing, Z Sobczak, J Blawat, T Klimczuk, R Jin, W Xie* “Crystal structure, chemical bonding, and physical properties of layered AIrSn2(A= Sr and Ba).” J. Mater. Sci. 54, 11127–11133 (2019).
76. X Xu, X Wang, TA Cochran, DS Sanchez, G Chang, I Belopolski, G Wang, Y Liu, HJ Tien, X Gui, W Xie, MZ Hasan, TR Chang, S Jia “Crystal growth and quantum oscillations in the topological chiral semimetal CoSi.” Phys. Rev. B 100(4), 045104(2019).
75. Z Sobczak, MJ Winiarski, W Xie, RJ Cava, T Klimczuk “Superconductivity in the intermetallic compound Zr5Al4.” EPL (Europhysics Letters), 127(3), 37005(2019).
74. X Gui, I Pletikosic, H Cao, HJ Tien, X Xu, R Zhong, G Wang, TR Chang, S Jia, T Valla, W Xie*, RJ Cava “A New Magnetic Topological Quantum Material Candidate by Design.” ACS Cent. Sci. 5, 5, 900-910 (2019).
73. X Gui, GF Finkelstein, K Chen, T Yong, P Dera, J Cheng, W Xie* “Pressure-Induced Large Volume Collapse, Plane-to-Chain, Insulator to Metal Transition in CaMn2Bi2.” Inorg. Chem. 58(14), 8933-8937(2019).
72. J Blawat, P Swatek, X Gui, R Jin, W Xie* “Antiferromagnetic Semiconductor Eu3Sn2P4 with Sn-Sn Dimer and Crown-wrapped Eu.” J. Mater. Chem. C. DOI: 10.1039/C9TC03557E (2019).
71. X Gui, GF Finkelstein, D Graf, K Wei, D Zhang, R Baumbach, P Dera, W Xie* “Enhanced Néel Temperature in EuSnP under Pressure.” Dalton Trans. 48 (16), 5327-5334 (2019).
70. X Gui, S Calder, H Cao, T Yu, W Xie* “Geometric and Magnetic Structure of K2ReI6 as an Antiferromagnetic Insulator with Ferromagnetic Spin-Canting Originated from Spin Orbit Coupling (SOC).” J. Phys. Chem. C. 123(3), 1645 (2019).
69. DS Sanchez, I Belopolski, TA Cochran, X Xu, JX Yin, G Chang, W Xie, K Manna, v Süß, CY Huang, N Alidoust, D Multer, SS Zhang, N Shumiya, X Wang, GQ Wang, T-R Chang, C Felser, S-Y Xu, S Jia, H Lin, MZ Hasan “Topological chiral crystals with helicoid-arc quantum states.” Nature 567, 500-505 (2019).
68. H Chang, S Huang, RK Nepal, R Chapai, L Xing, W Xie, Jin, R. “Mn-induced Ferromagnetism and Enhanced Thermoelectric Properties in Ru1-xMnxSb2+d.” New J. Phys. 21, 033008 (2019).
67. EM Carnicom, W Xie, Z Yang, K Górnicka, T Kong, T Klimczuk, RJ Cava “The importance of specific heat characterization when reporting new superconductors: The example of superconductivity in LiGa2” Chem. Mater. 31, 2164-2173 (2019).
66. T-R Chang, I Pletikosic, T Kong, G Bian, A Huang, J Denlinger, SK Kushwaha, B Sinkovic, H-T Jeng, T Valla, W Xie, RJ Cava “Realization of a Type‐II Nodal‐Line Semimetal in Mg3Bi2” Advanced Science, 6, 1800897 (2019).
65. S Guo, T Kong, W Xie, L Nguyen, K Stolze, FA Cevallos, RJ Cava “Triangular Rare-Earth Lattice Materials RbBaR(BO3)2 (R= Y, Gd–Yb) and Comparison to the KBaR(BO3)2” Inorg. Chem. 58, 3308-3315 (2019).
64. Y Zhou, L Xing, GJ Finkelstein, X Gui, MG Marshall, P Dera, R Jin, W Xie* “Cr2. 37Ga3Se8: A Quasi-Two-Dimensional Magnetic Semiconductor.” Inorg. Chem. 57(22), 14298–14303(2018).
63. Y Fang, S Ran, W Xie, S Wang, YS Meng, MB Maple ” Evidence for a conducting surface ground state in high-quality single-crystalline FeSi.” Proc. Natl. Acad. Sci. U.S.A. 115(34), pp. 8558-8562 (2018).
62. EM Carnicom, J Strychalska-Nowak, P Wiśniewski, D Kaczorowski, W Xie, T Klimczuk, RJ Cava “Superconductivity in the superhard boride WB4. 2.” Superconductor Science and Technology, 31(11), p.115005 (2018).
61. L Xing, X Gui, W Xie, H Cao, J Yan, BC Sales, R Jin “Mn-induced Ferromagnetic Semiconducting Behavior with Linear Negative Magnetoresistance in Sr4(Ru1-xMnx)3O10 Single Crystals.” Scientific reports, 8(1), p.13330 (2018).
60. S Nie, L Xing, R Jin, W Xie, Z Wang, FB Prinz “Topological phases in the TaSe3 compound.” Phys. Rev. B, 98(12), p.125143 (2018).
W Xie* “Superconducting SrSnP with Strong Sn-P Antibonding Interaction: Is the Sn Atom Single or Mixed Valent?” Chem. Mater. 30, pp 6005–6013 (2018).
58. J Bławat, M Roman, W Xie, RJ Cava, T Klimczuk “La15NbxGe9: a superstructure of the Mn5Si3 structure type with interstitial Nb atoms.” J. Solid State Chem. 265, pp.50(2018).
57. Y Zhu, T Zhang, J Hu, J Kidd, D Graf, X Gui, W Xie, M Zhu, X Ke, H Cao, Z Fang, HM Weng, ZQ Mao “Multiple topologically nontrivial bands in noncentrosymmetric YSn2.” Phys. Rev. B, 98(3), p.035117 (2018).
56. LT Nguyen, T Halloran, W Xie, T Kong, CL Broholm, RJ Cava “Geometrically frustrated trimer-based Mott insulator.” Phys. Rev. Materials, 2(5), p.054414(2018).
55. A Huang, AD Smith, M Schwinn, Q Lu, TR Chang, W Xie, HT Jeng, G Bian “Multiple topological electronic phases in superconductor MoC.” Phys. Rev. Materials, 2(5), p.054205 (2018).
54. EM Carnicom, W Xie, T Klimczuk, J Lin, K Górnicka, Z Sobczak, NP Ong, RJ Cava. “TaRh2B2 and NbRh2B2: Superconductors with a chiral noncentrosymmetric crystal structure.” Science Advances 4(5), eaar7969 (2018).
53. J Hu, Y Zhu, X Gui, D Graf, Z Tang, W Xie, Mao, Z. “Quantum oscillation evidence for a topological semimetal phase in ZrSnTe.” Phys. Rev. B 97(15), 155101 (2018).
52. X Gui, X Zhao, Z Sobczak, C-Z Wang, T Klimczuk, K-M Ho, W Xie* “Ternary Bismuthide SrPtBi2: Computation and Experiment in Synergism to Explore Solid-State Materials.” J. Phys. Chem. C. 122(9), 5057 (2018).
51. X Gui, L Xing, X Wang, G Bian, R Jin, W Xie* “Pt-Bi Antibonding Interaction: The Key Factor for Superconductivity in Monoclinic BaPt2Bi2.” Inorg. Chem. 57(4), 1698 (2018).
50. L Gustin, L Xing, MT Pan, R Jin, W Xie* “Electron counts, structural stability, and magnetism in BaCuSn2-CeNi1-xSi2-type YTxGe2 (T= Cr, Mn, Fe, Co, and Ni).” J. Alloy. Comp. 741, 840 (2018).
49. Y He, L Shi, F Wu, W Xie, S Wang, D Yan, P Liu, MR Li, J Caro, H Luo. “A novel dual-phase membrane 40 wt% Nd6Sr0.4CoO3-δ–60wt% Ce0.9Nd0.1O2-δ: design, synthesis, and properties.” J. Mater. Chem. A. 6(1):84 (2018).
48. C Dhital, L DeBeer-Schmitt, Q Zhang, W Xie, DP Young, JF DiTusa. “Exploring the origins of the Dzyaloshinskii-Moriya interaction in MnSi.” Phys. Rev. B 96(21), 214425(2017).
47. E Emmanouilidou, H Cao, P Tang, X Gui, C Hu, B Shen, J Wu, SC Zhang, W Xie, N Ni. “Magnetic order induces symmetry breaking in the single-crystalline orthorhombic CuMnAs semimetal.” Phys. Rev. B. 96(22):224405 (2017).
46. W Xu, W Xie, Y Wang “Co3O4-x-Carbon@Fe2-yCoyO3 Heterostructural Hollow Polyhedrons for the Oxygen Evolution Reaction” ACS Appl. Mater. Interfaces, 9(34):28642 (2017).
45. J Cao, D Siefker, BA Chan, T Yu, L Lu, MA Saputra, FR. Fronczek, W Xie, D Zhang. “Interfacial Ring-Opening Polymerization of Amino-Acid-Derived N-Thiocarboxyanhydrides Toward Well-Defined Polypeptides” ACS Macro Lett. 6, 836–840 (2017).
44. W Xie*, L Gustin, G Bian “111-type semiconductor ReGaSi follows 14e- rule” Inorg. Chem. 56 (9), 5165 (2017).
43. Q Ma, S-Y Xu, C-K Chan, C-L Zhang, G Chang, Y Lin, W Xie, T Palacios, H Lin, S Jia, P A Lee, P Jarillo-Herrero, N Gedik. “Direct Optical Detection of Weyl Fermion Chirality in a Topological Semimetal” Nature Phys. (2017), in press.
42. G Cao, W Xie, WA Phelan, JF DiTusa, R Jin, “Electrical anisotropy and coexistence of structural transitions and superconductivity in IrTe2” Phys. Rev. B. 95, 035148 (2017).
41. W Xie*, H Luo, “Magnetic Spinels- Synthesis, Properties and Applications: Structure-Property Correlations and Superconductivity in Spinels”, ISBN 978-953-51-5029-9, InTech, (2017).
40. EM Carnicom, W Xie, Z Sobczak, T Kong, T Klimczuk, RJ Cava. “Superconductivity in the Nb-Ru-Ge σ phase.” Phys. Rev. Materials. 1(7):074802 (2017).
39. EM Carnicom, W Xie, T Klimczuk, RJ Cava “New σ-phases in the Nb–X–Ga and Nb–X–Al systems (X= Ru, Rh, Pd, Ir, Pt, and Au).” Dalton Trans. 46(41):14158 (2017).
38. EM Carnicom, T Klimczuk, F von Rohr, MJ Winiarski, T Kong, K Stolze, W Xie, SK Kushwaha, RJ Cava. “Growth, Crystal Structure and Magnetic Characterization of Zn-Stabilized CePtIn4” J. Phys. Soc. Jpn. 86, 084710 (2017).
37. X Gui, T-R Chang, T Kong, MT Pan, RJ Cava, W Xie* “Monoclinic 122-Type BaIr2Ge2 with a Channel Framework: A Structural Connection between Clathrate and Layered Compounds” Materials, 2017, 10, 818. (Special Issue, Invited)
36. W Xie, RJ Cava, GJ Miller “Packing of Russian Doll Clusters to Form a Nanometer-Scale CsCl-type Compound in a Cr-Zn-Sn Complex Metallic Alloy” J. Mater. Chem. C 5, 7215-7221 (2017).
35. G Bian, T-R Chang, A Huang, Y Li, H-T Jeng, DJ Singh, RJ Cava, W Xie* “Prediction of Nontrivial Band Topology and Superconductivity in Mg2Pb” Phys. Rev. Materials 1(2), 021201 (2017)
34. LC Srivichitranond, EM Seibel, W Xie, Z Sobczak, T Klimczuk, RJ Cava ” Superconductivity in a New Intermetallic Structure Type based on Endohedral Ta@Ir7Ge4 Clusters” Phys. Rev. B., 95, 174521 (2017).
33. W Xie*, M J Winiarski, T Klimczukb, R J Cava “A tetragonal polymorph of SrMn2P2 made under high pressure – theory and experiment in harmony” Dalton Trans. 46, 6835 (2017).
32. EM Carnicom, W Xie, EM Seibel, RJ Cava, “The LaPdIn4 Indide and Elementary Properties of the LaTIn4 (T = Ni, Pd, Pt) Materials Family” J. Alloys Compd. 694, 682 (2017).
31. T Klimczuk, W Xie, MJ Winiarski, R Kozioł, LS Litzbarski, H Luo, RJ Cava, “Crystal Structure and Physical Properties of new Ca2TGe3 (T= Pd and Pt) Germanides”, J. Solid State Chem. 243, 95 (2016).
30. W Xie*, M Liu, Z Wang, NP Ong, RJ Cava, “Composite Icosahedron/Cube Endohedral Clusters in Rh2Cd15″. Inorg. Chem. 55, 7605(2016).
29. BF Phelan, EM Seibel, D Badoe, W Xie, RJ Cava “Influence of structural distortions on the Ir magnetism in Ba2−xSrxYIrO6 double perovskites” Solid State Comm. 236, 37(2016).
28. Z Wang, D Gresch, AA Soluyanov, W Xie, S Kushwaha, X Dai, M Troyer, RJ Cava, BA Bernevig. “MoTe2: A Type-II Weyl Topological Metal.” Phys. Rev. Lett. 117, 056805 (2016).
27. RR Reinig, D Mukherjee, ZB Weinstein, W Xie, T Albright, B Baird, TS Gray, A Ellern, GJ Miller, AH Winter, SL Bud’ko, AD Sadow, “Synthesis and Oxidation Catalysis of [Tris(oxazolinyl)borato]cobalt(II) Scorpionates”, Eur. J. Inorg. Chem. 2486 (2016).
26. H Luo, K Yan, I Pletikosic, W Xie, BF Phelan, T Valla, RJ Cava, “Superconductivity in a Misfit Phase That Combines the Topological Crystalline Insulator Pb1−xSnxSe with the CDW-Bearing Transition-Metal Dichalcogenide TiSe2”, J. Phys. Soc. Jpn 85, 064705 (2016).
25. US Kaluarachchi, Q Lin, W Xie, V Taufour, SL Bud’ko, GJ Miller, PC Canfield, “Superconducting properties of Rh9In4S4 single crystals”, Phy. Rev. B 93, 094524 (2016).
24. W Xie*, EM Seibel, RJ Cava, “The New Superconductor tP-SrPd2Bi2: Structural Polymorphism and Superconductivity in Intermetallics”, Inorg. Chem. 55, 3203 (2016).
23. EM Seibel, W Xie, QD Gibson, RJ Cava, “Synthesis, Structure, and Basic Magnetic and Thermoelectric Properties of the Light Lanthanide Aurobismuthides”, Inorg. Chem. 55, 3583 (2016).
22. H Luo, W Xie, J Tao, I Pletikosic, T Valla, GS Sahasrabudhe, G Osterhoudt, E Sutton, KS Burch, EM Seibel, JW Krizan, Y Zhu, RJ Cava, “Differences in Chemical Doping Matter: Superconductivity in Ti1–x TaxSe2 but Not in Ti1–xNbxSe2”, Chem. Mater. 28, 1927 (2016).
21. N Haldolaarachchige, Q Gibson, W Xie, MB Nielsen, S Kushwaha, RJ Cava, “Anomalous composition dependence of the superconductivity in In-doped SnTe”, Phys. Rev. B 93, 024520 (2016).
20. MB Nielsen, W Xie, RJ Cava, “Ternary rare-earth silicides RE2M3Si4 (RE = Sc, Y, Lu; M = Mo, W): crystal structure, coloring, and electronic properties”, Dalton Trans. 45, 3771 (2016).
19. W Xie, H Luo, BF Phelan, T Klimczuk, FA Cevallos, RJ Cava, “Endohedral Gallide Cluster Superconductors and the New Superconductor ReGa5”, Proc. Natl. Acad. Sci. U.S.A. 112, E7048 (2015).
18. H Luo, W Xie, RJ Cava, “Cr-doped TiSe2– a layered dichalcogenide spin glass”, Chem. Mater. 27, 6810 (2015).
17. H Luo, W Xie, ES Seibel, RJ Cava, “Superconductivity in 3R-Ta1-xMxSe2 (M= Mo and W)”, J. Phys.: Condens. Matter 27, 365701 (2015).
16. W Xie*, H Luo, BF Phelan, RJ Cava*, “Zr5Sb3-xRux, A New Superconductor in the W5Si3 Structure Type” J. Mater. Chem. C 3, 8235 (2015).
15. ES Seibel, W Xie, QD Gibson, RJ Cava, “Structure and Magnetic Properties of the REAuBi2 (RE = La-Nd, Sm) Phases”, J. Solid State Chem. 230, 318 (2015).
14. L Xie, L Schoop, E Seibel, QW Gibson, W Xie, RJ Cava, A New Form of Ca3P2 with a Ring of Dirac Nodes, APL Mat. 3, 083602 (2015).
13. US Kaluarachchi, W Xie, Q Lin, V Taufour, SL Bud’ko, GJ Miller, PC Canfield, “Superconductivity Versus Structural Phase Transition in the Closely Related Bi2Rh3.5S2 and Bi2Rh3S2”, Phys. Rev. B 91,174513 (2015).
12. W Xie*, H Luo, EM Seibel, MB Nielsen, RJ Cava*, “Superconductivity in Hf5Sb3-xRux: Are Ru and Sb a critical charge-transfer pair for superconductivity?” Chem. Mater. 27, 4511 (2015)
11. BF Phelan, JW Krizan, W Xie, QD Gibson, RJ Cava, “New Material for Probing Spin-Orbit Coupling in Iridates”, Phys. Rev. B 91, 155117 (2015).
10. H Luo, W Xie, J Tao, H Inoue, A Gyenis, JW Krizan, A Yazdani, Y Zhu, RJ Cava, “Polytypism, Polymorphism, and Superconductivity in TaSe2-xTex”, Proc. Natl. Acad. Sci. U.S.A. E1174, (2015).
9. W Xie*, MK Fuccillo, BF Phelan, H Luo, RJ Cava, “Stabilization of the Ti3Co5B2–type structure for Ti3-xSixRu5B2 through Si-Ti substitution”, J. Solid State Chem. 227, 92-97 (2015).
8. H Luo, JW Krizan, L Muechler, N Haldolaarachchige, T Klimczuk, W Xie, MK Fuccillo, C Felser, RJ Cava, “A Large New Family of Filled Skutterudites Stabilized by Electron Count”, Nat. Comm. 6, 6489 (2015).
7. W Xie, H Luo, K Baroudi, JW Krizan, BF Phelan, RJ Cava, “Fragment-based design of NbRuB as a new metal-rich boride superconductor”, Chem. Mater. 257, 1149-1152 (2015).
6. ES Seibel, LM Schoop, W Xie, QD Gibson, JB Webb, MK Fuccillo, JW Krizan, RJ Cava, “Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln= La-Nd and Sm)”, J. Am. Chem. Soc. 137, 1282-1289 (2014).
5. W Xie, J Liu, VK Pecharsky, GJ Miller, “γ-Brasses with Spontaneous Magnetization: Atom Site Preferences and Magnetism in the Fe-Zn and Fe-Pd-Zn Phase Spaces”. Z. Anorg. Allg. Chem. 641, 270-278 (2015).
4. J Liu, W Xie, KA Gschneidner Jr, GJ Miller, VK Pecharsky, “Spin-Glass Behavior in a Giant Unit Cell Compound Tb117Fe52Ge113.8”, J. Phys. Condens. Matter. 26, 416003 (2014)
3. W Xie and GJ Miller, “New Co–Pd–Zn γ-Brasses with Dilute Ferrimagnetism and Co2Zn11 Revisited: Establishing the Synergism between Theory and Experiment”, Chem. Mater. 26, 2624-2634 (2014).
2. N Kazem, W Xie, AZ Williams, GJ Miller, JG Snyder, SM Kauzlarich, “High Temperature Thermoelectric Properties of the Solid-Solution Zintl Phase Eu11Cd6Sb12-xAsx(x < 3)”, Chem. Mater. 26, 1393-1403 (2014).
1. W Xie, S Thimmaiah, J Lamsal, J Liu, TW Heitmann, D Quirinale, AI Goldman, VK Pecharsky, GJ Miller, “β-Mn-Type Co8+xZn12−x as a Defect Cubic Laves Phase: Site Preferences, Magnetism, and Electronic Structure”, Inorg. Chem. 52, 9399−9408 (2013).