Enormous electron-electron scattering in the filled-cage cubic compound B a10 T i24 B i39

Fei Han; Jin Ke Bao; Christos D. Malliakas; Mihai Sturza; Yongping Du; Duck Young Chung; Xiangang Wan; Mercouri G. Kanatzidis

doi:10.1103/PhysRevMaterials.3.105001

Enormous electron-electron scattering in the filled-cage cubic compound B a10 T i24 B i39

Fei Han, Jin Ke Bao, Christos D. Malliakas, Mihai Sturza, Yongping Du, Duck Young Chung, Xiangang Wan, Mercouri G. Kanatzidis

Chemistry

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Abstract

The cubic intermetallic compound Ba10Ti24Bi39 has a Ba6Bi16 polyhedral cage with a Bi guest atom encapsulated inside. The compound can be formulated as Ba5Ti12Bi19+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.

Original language	English (US)
Article number	105001
Journal	Physical Review Materials
Volume	3
Issue number	10
DOIs	https://doi.org/10.1103/PhysRevMaterials.3.105001
State	Published - Oct 7 2019

ASJC Scopus subject areas

Materials Science(all)
Physics and Astronomy (miscellaneous)

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10.1103/PhysRevMaterials.3.105001

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title = "Enormous electron-electron scattering in the filled-cage cubic compound B a10 T i24 B i39",

abstract = "The cubic intermetallic compound Ba10Ti24Bi39 has a Ba6Bi16 polyhedral cage with a Bi guest atom encapsulated inside. The compound can be formulated as Ba5Ti12Bi19+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){\AA}. 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.",

author = "Fei Han and Bao, {Jin Ke} and Malliakas, {Christos D.} and Mihai Sturza and Yongping Du and Chung, {Duck Young} and Xiangang Wan and Kanatzidis, {Mercouri G.}",

note = "Funding Information: We thank Dr. Daniel Phelan for help with the magnetic susceptibility measurements. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. Use of electron microscopy at the Center for Nanoscale, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Band-structure calculations done at Nanjing University (by Y.D. and X.W.) are supported by the National Natural Science Foundation of China (Grants No. 11374137 and No. 11525417). Publisher Copyright: {\textcopyright} 2019 American Physical Society.",

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AU - Han, Fei

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AU - Du, Yongping

AU - Chung, Duck Young

AU - Wan, Xiangang

AU - Kanatzidis, Mercouri G.

N1 - Funding Information: We thank Dr. Daniel Phelan for help with the magnetic susceptibility measurements. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. Use of electron microscopy at the Center for Nanoscale, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Band-structure calculations done at Nanjing University (by Y.D. and X.W.) are supported by the National Natural Science Foundation of China (Grants No. 11374137 and No. 11525417). Publisher Copyright: © 2019 American Physical Society.

PY - 2019/10/7

Y1 - 2019/10/7

N2 - The cubic intermetallic compound Ba10Ti24Bi39 has a Ba6Bi16 polyhedral cage with a Bi guest atom encapsulated inside. The compound can be formulated as Ba5Ti12Bi19+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.

AB - The cubic intermetallic compound Ba10Ti24Bi39 has a Ba6Bi16 polyhedral cage with a Bi guest atom encapsulated inside. The compound can be formulated as Ba5Ti12Bi19+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.

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Enormous electron-electron scattering in the filled-cage cubic compound B a10 T i24 B i39

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