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Title: Elastic, magnetic and electronic properties of iridium phosphide Ir 2P

Abstract

Cubic (space group: Fm3¯m) iridium phosphide, Ir 2P, has been synthesized at high pressure and high temperature. Angle-dispersive synchrotron X-ray diffraction measurements on Ir 2P powder using a diamond-anvil cell at room temperature and high pressures (up to 40.6 GPa) yielded a bulk modulus of B 0 = 306(6) GPa and its pressure derivative B 0'= 6.4(5). Such a high bulk modulus attributed to the short and strongly covalent Ir-P bonds as revealed by first – principles calculations and three-dimensionally distributed [IrP 4] tetrahedron network. Indentation testing on a well–sintered polycrystalline sample yielded the hardness of 11.8(4) GPa. Relatively low shear modulus of ~64 GPa from theoretical calculations suggests a complicated overall bonding in Ir 2P with metallic, ionic, and covalent characteristics. Additionally, a spin glass behavior is indicated by magnetic susceptibility measurements.

Authors:
 [1];  [2];  [2];  [3];  [4];  [2];  [2];  [5];  [6];  [7];  [8];  [2]
  1. Sichuan Univ., Chengdu (People's Republic of China); Univ. of Nevada, Las Vegas, NV (United States)
  2. Univ. of Nevada, Las Vegas, NV (United States)
  3. Yanshan Univ., Qinhuangdao (People's Republic of China)
  4. Chinese Academy of Sciences, Beijing (People's Republic of China)
  5. Chulalongkorn Univ., Bangkok (Thailand)
  6. Arizona State Univ., Tempe, AZ (United States)
  7. Qinghai Univ., Xining (People's Republic of China)
  8. Sichuan Univ., Chengdu (People's Republic of China)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States); Univ. of Nevada, Reno, NV (United States); Univ. of Nevada, Las Vegas, NV (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1240178
Alternate Identifier(s):
OSTI ID: 1252989; OSTI ID: 1332527
Grant/Contract Number:
AC02-06CH11357; NA0001982
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 6; Journal Issue: 02; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
ENGLISH
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; condensed-matter physics; electronic properties and materials; 36 MATERIALS SCIENCE; high-pressure synthesis; hard materials; bulk modulus; Vickers hardness; Iridium phosphide

Citation Formats

Wang, Pei, Wang, Yonggang, Wang, Liping, Zhang, Xinyu, Yu, Xiaohui, Zhu, Jinlong, Wang, Shanmin, Qin, Jiaqian, Leinenweber, Kurt, Chen, Haihua, He, Duanwei, and Zhao, Yusheng. Elastic, magnetic and electronic properties of iridium phosphide Ir2P. United States: N. p., 2016. Web. doi:10.1038/srep21787.
Wang, Pei, Wang, Yonggang, Wang, Liping, Zhang, Xinyu, Yu, Xiaohui, Zhu, Jinlong, Wang, Shanmin, Qin, Jiaqian, Leinenweber, Kurt, Chen, Haihua, He, Duanwei, & Zhao, Yusheng. Elastic, magnetic and electronic properties of iridium phosphide Ir2P. United States. doi:10.1038/srep21787.
Wang, Pei, Wang, Yonggang, Wang, Liping, Zhang, Xinyu, Yu, Xiaohui, Zhu, Jinlong, Wang, Shanmin, Qin, Jiaqian, Leinenweber, Kurt, Chen, Haihua, He, Duanwei, and Zhao, Yusheng. Wed . "Elastic, magnetic and electronic properties of iridium phosphide Ir2P". United States. doi:10.1038/srep21787. https://www.osti.gov/servlets/purl/1240178.
@article{osti_1240178,
title = {Elastic, magnetic and electronic properties of iridium phosphide Ir2P},
author = {Wang, Pei and Wang, Yonggang and Wang, Liping and Zhang, Xinyu and Yu, Xiaohui and Zhu, Jinlong and Wang, Shanmin and Qin, Jiaqian and Leinenweber, Kurt and Chen, Haihua and He, Duanwei and Zhao, Yusheng},
abstractNote = {Cubic (space group: Fm3¯m) iridium phosphide, Ir2P, has been synthesized at high pressure and high temperature. Angle-dispersive synchrotron X-ray diffraction measurements on Ir2P powder using a diamond-anvil cell at room temperature and high pressures (up to 40.6 GPa) yielded a bulk modulus of B0 = 306(6) GPa and its pressure derivative B0'= 6.4(5). Such a high bulk modulus attributed to the short and strongly covalent Ir-P bonds as revealed by first – principles calculations and three-dimensionally distributed [IrP4] tetrahedron network. Indentation testing on a well–sintered polycrystalline sample yielded the hardness of 11.8(4) GPa. Relatively low shear modulus of ~64 GPa from theoretical calculations suggests a complicated overall bonding in Ir2P with metallic, ionic, and covalent characteristics. Additionally, a spin glass behavior is indicated by magnetic susceptibility measurements.},
doi = {10.1038/srep21787},
journal = {Scientific Reports},
number = 02,
volume = 6,
place = {United States},
year = {Wed Feb 24 00:00:00 EST 2016},
month = {Wed Feb 24 00:00:00 EST 2016}
}

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  • Cubic (space group: Fm3¯m) iridium phosphide, Ir 2P, has been synthesized at high pressure and high temperature. Angle-dispersive synchrotron X-ray diffraction measurements on Ir 2P powder using a diamond-anvil cell at room temperature and high pressures (up to 40.6 GPa) yielded a bulk modulus of B 0 = 306(6) GPa and its pressure derivative B 0' = 6.4(5). Such a high bulk modulus attributed to the short and strongly covalent Ir-P bonds as revealed by first – principles calculations and three-dimensionally distributed [IrP 4] tetrahedron network. Indentation testing on a well–sintered polycrystalline sample yielded the hardness of 11.8(4) GPa. Relativelymore » low shear modulus of ~64 GPa from theoretical calculations suggests a complicated overall bonding in Ir 2P with metallic, ionic, and covalent characteristics. Additionally, a spin glass behavior is indicated by magnetic susceptibility measurements.« less
  • Cubic (space group: Fm3¯m) iridium phosphide, Ir 2P, has been synthesized at high pressure and high temperature. Angle-dispersive synchrotron X-ray diffraction measurements on Ir 2P powder using a diamond-anvil cell at room temperature and high pressures (up to 40.6 GPa) yielded a bulk modulus of B 0 = 306(6) GPa and its pressure derivative B' 0 = 6.4(5). Such a high bulk modulus attributed to the short and strongly covalent Ir-P bonds as revealed by first – principles calculations and three-dimensionally distributed [IrP 4] tetrahedron network. Indentation testing on a well–sintered polycrystalline sample yielded the hardness of 11.8(4) GPa. Asmore » a result, relatively low shear modulus of ~64 GPa from theoretical calculations suggests a complicated overall bonding in Ir 2P with metallic, ionic, and covalent characteristics. In addition, a spin glass behavior is indicated by magnetic susceptibility measurements.« less
  • Several new water-soluble iridium(I) complexes were synthesized and their reactivities with small molecules (H{sub 2} or CO) in polar solvents (DMSO or H{sub 2}O) examined. Reaction of H{sub 2} with [Ir(CO)(TPPMS){sub 3}]CF{sub 3}SO{sub 3} (TPPMS = P(C{sub 6}H{sub 5}){sub 2}(m-C{sub 6}H{sub 4}SO{sub 3}K)) in DMSO or H{sub 2}O produces [cis,mer-Ir(CO)(H){sub 2}(TPPMS){sub 3}]CF{sub 3}SO{sub 3}, while the reaction of CO with [Ir(CO)(TPPMS){sub 3}]-CF{sub 3}SO{sub 3} in water yields [Ir(CO){sub 2}(TPPMS){sub 3}]CF{sub 3}SO{sub 3}. Carbonylation of [Ir(CO){sub 2}(TPPMS){sub 3}]ClO{sub 4} in DMSO produces [Ir(CO){sub 3}(TPPMS){sub 2}]ClO{sub 4} and TPPMS; no reaction is observed in H{sub 2}O. Hydrogenation of [Ir(CO){sub 2}(TPPMS){sub 3}]ClO{sub 4}more » in DMSO or H{sub 2}O yields [cis,mer-Ir(CO)(H){sub 2}(TPPMS){sub 3}]ClO{sub 4}, while reaction of H{sub 2} with an aqueous solution of [Ir(CO)(H{sub 2}O)(TPPTS){sub 2}]CF{sub 3}SO{sub 3} produces [Ir(CO)(H{sub 2}O)(H){sub 2}(TPPTS){sub 2}]CF{sub 3}SO{sub 3}. Reaction of trans-Ir(CO)ClL{sub 2} (L = TPPMS or TPPTS) with excess L in H{sub 2}O produces [Ir(CO)L{sub 3}]Cl, while no reaction occurs in DMSO, [Ir(CO){sub 3}(TPPMS){sub 2}]Cl reacts irreversibly with TPPMS in H{sub 2}O to produce [Ir(CO){sub 2}-(TPPMS){sub 3}]Cl.« less
  • Electronic band structures of the ruthenium and iridium pyrochlores A{sub 2}M{sub 2}O{sub 6}O{sub 1{minus}y}{prime} (M = Ru, Ir) were examined using the extended Hueckel tight-binding method. The metal versus semiconductor behaviors of these pyrochlores are explained in terms of the Mott-Hubbard localization concept. The M-O, A-O, and A-O{prime} distances and M-O-M angles of A{sub 2}M{sub 2}O{sub 6}O{sub 1{minus}y}{prime} (M = Ru, Ir) were analyzed in terms of the A cation ionic radius. The M-O distance and the M-O-M angle are strongly influenced by the overlap repulsion between the filled shells of the A cation and O{sup 2{minus}} anions. The O{prime}more » vacancies of the pyrochlores A{sub 2}M{sub 2}O{sub 6}O{sub 1{minus}y}{prime} with polarizable A cations such as Tl{sup +}, Pb{sup 2+}, or Bi{sup 3+} occur most likely to reduce the overlap repulsion associated with the 6s orbitals of the A cations.« less
  • The preparation, characterization, and oxygen-transfer reactivity of the iridium dioxygen complexes RIr(O{sub 2})(CO)L{sub 2} (R = Me, Ph, Np; L = PPh{sub 3}, P(p-tolyl){sub 3}, PPh{sub 2}Me, PMe{sub 2}Ph, and P(p-C{sub 6}H{sub 4}OMe){sub 3}) are reported. These complexes oxidize carbon monoxide to carbonate, sulfur dioxide to sulfate, carbon dioxide to peroxycarbonate, and triphenylphosphine to triphenylphosphine oxide but are relatively inert to other possible substrates. The kinetics of the oxidations of CO and CO{sub 2} are reported and indicate a mechanism of reversible conversion of the dioxygen from bidentate to monodentate followed by reaction with free substrate in solution. The phosphinemore » ligand dependence on the rate of CO oxidation indicates that more electron density slightly increases the rate of oxygen transfer and that steric interactions impede the rate.« less