Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: Elastic, magnetic and electronic properties of iridium phosphide Ir2P

Abstract

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.

Authors:
 [1];  [2];  [2];  [3];  [4];  [2];  [2];  [5];  [6];  [7];  [8];  [2]
+ Show Author Affiliations
  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 Laboratory (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)
OSTI Identifier:
1240178
Alternate Identifier(s):
OSTI ID: 1252989; OSTI ID: 1332527
Grant/Contract Number:  
AC02-06CH11357; NA0001982
Resource Type:
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.
Copy to clipboard
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. https://doi.org/10.1038/srep21787
Copy to clipboard
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. https://doi.org/10.1038/srep21787. https://www.osti.gov/servlets/purl/1240178.
Copy to clipboard
@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}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1038/srep21787
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Citation Metrics:
Cited by: 12 works
Citation information provided by
Web of Science
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

MATERIALS SCIENCE: Designing Superhard Materials
journal, May 2005

New materials from high-pressure experiments
journal, September 2002

Is Rhenium Diboride a Superhard Material?
journal, December 2008

Transition Metal Borides: Superhard versus Ultra-incompressible
journal, October 2008

  • Gu, Qinfen; Krauss, Günter; Steurer, Walter
  • Advanced Materials, Vol. 20, Issue 19
  • DOI: 10.1002/adma.200703025

Synthesis of Ultra-Incompressible Superhard Rhenium Diboride at Ambient Pressure
journal, April 2007

Discovery of a Superhard Iron Tetraboride Superconductor
journal, October 2013

Hardness, elastic, and electronic properties of chromium monoboride
journal, June 2015

  • Han, Lei; Wang, Shanmin; Zhu, Jinlong
  • Applied Physics Letters, Vol. 106, Issue 22
  • DOI: 10.1063/1.4922147

Structure, bonding, and possible superhardness of CrB 4
journal, April 2012

New Hard and Superhard Materials: RhB 1.1 and IrB 1.35
journal, April 2009

  • Rau, J. V.; Latini, A.
  • Chemistry of Materials, Vol. 21, Issue 8
  • DOI: 10.1021/cm900310j

Thermal equation of state of rhenium diboride by high pressure-temperature synchrotron x-ray studies
journal, December 2008

Electronic structure, phase stability, and hardness of the osmium borides, carbides, nitrides, and oxides: First-principles calculations
journal, August 2008

Synthesis and characterization of a binary noble metal nitride
journal, April 2004

  • Gregoryanz, Eugene; Sanloup, Chrystele; Somayazulu, M.
  • Nature Materials, Vol. 3, Issue 5
  • DOI: 10.1038/nmat1115

Synthesis, Crystal Structure, and Elastic Properties of Novel Tungsten Nitrides
journal, August 2012

  • Wang, Shanmin; Yu, Xiaohui; Lin, Zhijun
  • Chemistry of Materials, Vol. 24, Issue 15
  • DOI: 10.1021/cm301516w

A high-pressure and high-temperature synthesis of platinum carbide
journal, January 2005

  • Ono, Shigeaki; Kikegawa, Takumi; Ohishi, Yasuo
  • Solid State Communications, Vol. 133, Issue 1
  • DOI: 10.1016/j.ssc.2004.09.048

Bulk Re 2 C: Crystal Structure, Hardness, and Ultra-incompressibility
journal, December 2010

  • Zhao, Zhisheng; Cui, Lin; Wang, Li-Min
  • Crystal Growth & Design, Vol. 10, Issue 12
  • DOI: 10.1021/cg100659g

Electronic structure and mechanical properties of osmium borides, carbides and nitrides from first principles
journal, June 2008

  • Liang, Yongcheng; Zhao, Jianzhi; Zhang, Bin
  • Solid State Communications, Vol. 146, Issue 11-12
  • DOI: 10.1016/j.ssc.2008.04.006

Structural, mechanical properties and fracture mechanism of RuB1.1
journal, January 2014

  • Pan, Yong; Guan, Weiming; Zheng, Weitao
  • Dalton Transactions, Vol. 43, Issue 13
  • DOI: 10.1039/c3dt52675e

Reduction of the bulk modulus at high pressure in CrN
journal, October 2009

  • Rivadulla, Francisco; Bañobre-López, Manuel; Quintela, Camilo X.
  • Nature Materials, Vol. 8, Issue 12
  • DOI: 10.1038/nmat2549

Experimental invalidation of phase-transition-induced elastic softening in CrN
journal, August 2012

Questionable collapse of the bulk modulus in CrN
journal, April 2010

  • Alling, Björn; Marten, Tobias; Abrikosov, Igor A.
  • Nature Materials, Vol. 9, Issue 4
  • DOI: 10.1038/nmat2722

Origin of hardness in WB4 and its implications for ReB4, TaB4, MoB4, TcB4, and OsB4
journal, September 2008

  • Wang, Mei; Li, Yinwei; Cui, Tian
  • Applied Physics Letters, Vol. 93, Issue 10
  • DOI: 10.1063/1.2977760

Materials Properties of Ultra-Incompressible Re 2 P
journal, August 2012

  • Schneider, Sebastian B.; Baumann, Dominik; Salamat, Ashkan
  • Chemistry of Materials, Vol. 24, Issue 16
  • DOI: 10.1021/cm3016885

Nanoscaled Metal Borides and Phosphides: Recent Developments and Perspectives
journal, June 2013

  • Carenco, Sophie; Portehault, David; Boissière, Cédric
  • Chemical Reviews, Vol. 113, Issue 10, p. 7981-8065
  • DOI: 10.1021/cr400020d

Novel catalysts for advanced hydroprocessing: transition metal phosphides
journal, May 2003

Pressure-induced zigzag phosphorus chain and superconductivity in boron monophosphide
journal, March 2015

  • Zhang, Xinyu; Qin, Jiaqian; Liu, Hanyu
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep08761

Single-Crystal Nanotubes of II3–V2 Semiconductors
journal, November 2006

  • Shen, Guozhen; Bando, Yoshio; Ye, Changhui
  • Angewandte Chemie, Vol. 118, Issue 45
  • DOI: 10.1002/ange.200602636

High-pressure synthesis and in-situ high pressure x-ray diffraction study of cadmium tetraphosphide
journal, February 2013

  • Wang, Pei; Peng, Fang; Lei, Li
  • Journal of Applied Physics, Vol. 113, Issue 5
  • DOI: 10.1063/1.4790179

Evolution of Luminescence from Doped Gallium Phosphide over 40 Years
journal, February 2009

  • Pyshkin, Sergei; Ballato, John; Bass, Michael
  • Journal of Electronic Materials, Vol. 38, Issue 5
  • DOI: 10.1007/s11664-009-0678-6

On the feasibility of phosphide generation from phosphate reduction: The case of Rh, Ir, and Ag
journal, January 2008

  • Sweeney, Christina M.; Stamm, Kimber L.; Brock, Stephanie L.
  • Journal of Alloys and Compounds, Vol. 448, Issue 1-2
  • DOI: 10.1016/j.jallcom.2006.10.035

Phosphides of the Platinum Metals
journal, January 1960

Beiträge zur systematischen Verwandtschaftslehre. 64. Über das Vereinigungsvermögen von Platin und Phosphor
journal, June 1935

  • Blatz, Wilhelm; Weibke, Friedrich; May, Ernst
  • Zeitschrift für anorganische und allgemeine Chemie, Vol. 223, Issue 2
  • DOI: 10.1002/zaac.19352230204

Über die Strukturen des Uransubsulfids und der Subphosphide des Iridiums und Rhodiums
journal, March 1940

Superconductivity of some new Pt-metal compounds
journal, September 1963

  • Raub, Ch. J.; Zachariasen, W. H.; Geballe, T. H.
  • Journal of Physics and Chemistry of Solids, Vol. 24, Issue 9
  • DOI: 10.1016/0022-3697(63)90022-2

First-principles simulation: ideas, illustrations and the CASTEP code
journal, March 2002

  • Segall, M. D.; Lindan, Philip J. D.; Probert, M. J.
  • Journal of Physics: Condensed Matter, Vol. 14, Issue 11
  • DOI: 10.1088/0953-8984/14/11/301

ELF: The Electron Localization Function
journal, September 1997

  • Savin, Andreas; Nesper, Reinhard; Wengert, Steffen
  • Angewandte Chemie International Edition in English, Vol. 36, Issue 17
  • DOI: 10.1002/anie.199718081

Nano-polycrystalline diamond formation under ultra-high pressure
journal, January 2013

  • Xu, Chao; He, Duanwei; Wang, Haikuo
  • International Journal of Refractory Metals and Hard Materials, Vol. 36
  • DOI: 10.1016/j.ijrmhm.2012.09.004

Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions
journal, January 1986

  • Mao, H. K.; Xu, J.; Bell, P. M.
  • Journal of Geophysical Research, Vol. 91, Issue B5, p. 4673-4676
  • DOI: 10.1029/JB091iB05p04673

Two-dimensional detector software: From real detector to idealised image or two-theta scan
journal, January 1996

  • Hammersley, A. P.; Svensson, S. O.; Hanfland, M.
  • High Pressure Research, Vol. 14, Issue 4-6, p. 235-248
  • DOI: 10.1080/08957959608201408

Relaxation of Crystals with the Quasi-Newton Method
journal, February 1997

  • Pfrommer, Bernd G.; Côté, Michel; Louie, Steven G.
  • Journal of Computational Physics, Vol. 131, Issue 1
  • DOI: 10.1006/jcph.1996.5612

The Elastic Behaviour of a Crystalline Aggregate
journal, May 1952

Localization Patterns in Interstitial Space: A Special Property of the Electron Localization Function (ELF)
journal, June 1997

Phosphides of the Platinum Metals
journal, January 1960

Synthesis and characterization of a binary noble metal nitride
journal, April 2004

  • Gregoryanz, Eugene; Sanloup, Chrystele; Somayazulu, M.
  • Nature Materials, Vol. 3, Issue 5
  • DOI: 10.1038/nmat1115

Reduction of the bulk modulus at high pressure in CrN
journal, October 2009

  • Rivadulla, Francisco; Bañobre-López, Manuel; Quintela, Camilo X.
  • Nature Materials, Vol. 8, Issue 12
  • DOI: 10.1038/nmat2549

New materials from high-pressure experiments
journal, September 2002

Pressure-induced zigzag phosphorus chain and superconductivity in boron monophosphide
journal, March 2015

  • Zhang, Xinyu; Qin, Jiaqian; Liu, Hanyu
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep08761

Stability and Strength of Transition-Metal Tetraborides and Triborides
journal, June 2012

Osmium has the Lowest Experimentally Determined Compressibility
journal, March 2002

Hardness of Covalent Crystals
journal, July 2003

Comment on "Synthesis of Ultra-Incompressible Superhard Rhenium Diboride at Ambient Pressure"
journal, December 2007

Superconductivity
journal, October 1963

Discovery of a superhard iron tetraboride superconductor
text, January 2013

    Sort by:
    [ × clear filter / sort ]

    Works referencing / citing this record:

    The Structure and Properties of Magnesium-Phosphorus Compounds Under Pressure
    journal, July 2018

    • Liu, Yunxian; Wang, Chao; Lv, Pin
    • Chemistry - A European Journal, Vol. 24, Issue 44
    • DOI: 10.1002/chem.201801749

    A universal synthesis strategy for P-rich noble metal diphosphide-based electrocatalysts for the hydrogen evolution reaction
    journal, January 2019

    • Pu, Zonghua; Zhao, Jiahuan; Amiinu, Ibrahim Saana
    • Energy & Environmental Science, Vol. 12, Issue 3
    • DOI: 10.1039/c9ee00197b
      Sort by:
      [ × clear filter / sort ]

      Similar Records in DOE PAGES and OSTI.GOV collections: