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Title: Enormous electron-electron scattering in the filled-cage cubic compound B a 10 T i 24 B i 39

Abstract

Cubic intermetallic compound Ba 10Ti 24Bi 39 has a Ba 6Bi 16 polyhedral cage with a Bi guest atom encapsulated inside. The compound can be formulated as Ba 5Ti 12Bi$$_{19+x}$$ when $x$ signifies the extra Bi atoms filling cages. It crystallizes in a complex noncentrosymmetric cubic structure in space group $P-43m$ with cell parameter $a = 12.6787(4)Å$. The guest Bi atoms distribute diffusely in the cages and seem to play a role in stabilizing the crystal structure. The magnetic susceptibility of this compound shows a weak temperature dependence with a positive slope coefficient. The charge transport properties as a function of temperature exhibit two competing components which are in charge of positive and negative magnetoresistances. Electronic band-structure calculations reveal the complex multiband hybridization of Ti/Bi orbitals near the Fermi surface, which may play a role in the enormous electron-electron scattering in this material evidenced by the large Kadowaki-Woods ratio.

Authors:
 [1];  [2];  [3];  [4];  [5];  [2];  [5];  [3]
  1. Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division; Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering
  2. Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
  3. Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division; Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry
  4. Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division; Leibniz Inst. for Solid State and Materials Research (IFW), Dresden (Germany)
  5. Nanjing Univ. (China). National Laboratory of Solid State Microstructures, School of Physics, Collaborative Innovation Center of Advanced Microstructures
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1570005
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 3; Journal Issue: 10; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Electrical properties; Crystal growth; Magnetization measurements; Resistivity measurements

Citation Formats

Han, Fei, Bao, Jin-Ke, Malliakas, Christos D., Sturza, Mihai, Du, Yongping, Chung, Duck Young, Wan, Xiangang, and Kanatzidis, Mercouri G. Enormous electron-electron scattering in the filled-cage cubic compound Ba10Ti24Bi39. United States: N. p., 2019. Web. doi:10.1103/PhysRevMaterials.3.105001.
Han, Fei, Bao, Jin-Ke, Malliakas, Christos D., Sturza, Mihai, Du, Yongping, Chung, Duck Young, Wan, Xiangang, & Kanatzidis, Mercouri G. Enormous electron-electron scattering in the filled-cage cubic compound Ba10Ti24Bi39. United States. doi:10.1103/PhysRevMaterials.3.105001.
Han, Fei, Bao, Jin-Ke, Malliakas, Christos D., Sturza, Mihai, Du, Yongping, Chung, Duck Young, Wan, Xiangang, and Kanatzidis, Mercouri G. Mon . "Enormous electron-electron scattering in the filled-cage cubic compound Ba10Ti24Bi39". United States. doi:10.1103/PhysRevMaterials.3.105001.
@article{osti_1570005,
title = {Enormous electron-electron scattering in the filled-cage cubic compound Ba10Ti24Bi39},
author = {Han, Fei and Bao, Jin-Ke and Malliakas, Christos D. and Sturza, Mihai and Du, Yongping and Chung, Duck Young and Wan, Xiangang and Kanatzidis, Mercouri G.},
abstractNote = {Cubic intermetallic compound Ba10Ti24Bi39 has a Ba6Bi16 polyhedral cage with a Bi guest atom encapsulated inside. The compound can be formulated as Ba5Ti12Bi$_{19+x}$ when $x$ signifies the extra Bi atoms filling cages. It crystallizes in a complex noncentrosymmetric cubic structure in space group $P-43m$ with cell parameter $a = 12.6787(4)Å$. The guest Bi atoms distribute diffusely in the cages and seem to play a role in stabilizing the crystal structure. The magnetic susceptibility of this compound shows a weak temperature dependence with a positive slope coefficient. The charge transport properties as a function of temperature exhibit two competing components which are in charge of positive and negative magnetoresistances. Electronic band-structure calculations reveal the complex multiband hybridization of Ti/Bi orbitals near the Fermi surface, which may play a role in the enormous electron-electron scattering in this material evidenced by the large Kadowaki-Woods ratio.},
doi = {10.1103/PhysRevMaterials.3.105001},
journal = {Physical Review Materials},
number = 10,
volume = 3,
place = {United States},
year = {2019},
month = {10}
}

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


A short history of SHELX
journal, December 2007

  • Sheldrick, George M.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122
  • DOI: 10.1107/S0108767307043930

Colloquium: Topological insulators
journal, November 2010