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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
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. 2016. "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 = 2016,
month = 2
}

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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
  • Tunable electromagnetic properties of pristine two-dimensional boron phosphide (h-BP) nanosheet and its semihydrogenated structure were studied by density functional theory computations. In sharp contrast to previously reported tensile strain-induced red shift in two-dimensional semiconductors, the direct gap of h-BP undergoes blue shift under biaxial tensile strain. Once semihydrogenated, the h-BP not only transform from the nonmagnetic semiconductor into metal which is spin-resolved but also exhibits linear response between the magnetic moment and biaxial strain with a slope up to 0.005 μB/1%. These findings provide a simple and effective route to tune the electronic and magnetic properties of h-BP nanostructures in amore » wide range and should inspire experimental enthusiasm.« less
  • The electronic structure of the isostructural AIr/sub 2/ systems (A = Th, Pa, U, Np, Pu, and Am) has been obtained by means of the scalar relativistic and fully relativistic linear muffin-tin orbital techniques. Ground-state properties such as lattice constants and onset of magnetic order have been calculated and compared with measured data. The hybridization between the actinide 5f and the ligand 5d states and the direct 5f wave-function overlap are found to be of comparable importance for the bandwidth of the itinerant 5f states. The anomalous paramagnetism of PuIr/sub 2/ can be explained only by a fully relativistic treatment.
  • The pressure dependence of the elastic constants C{sub ij} of GaP have been measured up to 15 GPa in a diamond anvil cell. Brillouin backscattering experiments along the principal crystallographic directions yielded four combinations of elastic constants from which the three independent C{sub ij} were extracted. Above 15 GPa the closure of the energy band gap prevents the detection of the signal. {copyright} {ital 1999} {ital The American Physical Society}