Structure of nanocrystalline materials using atomic pair distribution function analysis: Study of (formula presented)

V. Petkov; S. J.L. Billinge; P. Larson; S. D. Mahanti; T. Vogt; K. K. Rangan; M. G. Kanatzidis

doi:10.1103/PhysRevB.65.092105

Structure of nanocrystalline materials using atomic pair distribution function analysis: Study of (formula presented)

V. Petkov, S. J.L. Billinge, P. Larson, S. D. Mahanti, T. Vogt, K. K. Rangan, M. G. Kanatzidis

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

The structure of (formula presented) has been experimentally determined. The approach of atomic pair distribution function analysis was used because of the lack of well-defined Bragg peaks due to the short structural coherence (50 Å) in this intercalation compound. The reduction of Mo by Li results in Mo-Mo bonding with the formation of chains of distorted (formula presented) octahedra. Using refined structural parameters the electronic band structure for this material has been calculated and is in good agreement with observed material properties.

Original language	English
Pages (from-to)	1-4
Number of pages	4
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	65
Issue number	9
DOIs	https://doi.org/10.1103/PhysRevB.65.092105
State	Published - 2002

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10.1103/PhysRevB.65.092105

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abstract = "The structure of (formula presented) has been experimentally determined. The approach of atomic pair distribution function analysis was used because of the lack of well-defined Bragg peaks due to the short structural coherence (50 {\AA}) in this intercalation compound. The reduction of Mo by Li results in Mo-Mo bonding with the formation of chains of distorted (formula presented) octahedra. Using refined structural parameters the electronic band structure for this material has been calculated and is in good agreement with observed material properties.",

author = "V. Petkov and Billinge, {S. J.L.} and P. Larson and Mahanti, {S. D.} and T. Vogt and Rangan, {K. K.} and Kanatzidis, {M. G.}",

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T2 - Study of (formula presented)

AU - Petkov, V.

AU - Billinge, S. J.L.

AU - Larson, P.

AU - Mahanti, S. D.

AU - Vogt, T.

AU - Rangan, K. K.

AU - Kanatzidis, M. G.

PY - 2002

Y1 - 2002

N2 - The structure of (formula presented) has been experimentally determined. The approach of atomic pair distribution function analysis was used because of the lack of well-defined Bragg peaks due to the short structural coherence (50 Å) in this intercalation compound. The reduction of Mo by Li results in Mo-Mo bonding with the formation of chains of distorted (formula presented) octahedra. Using refined structural parameters the electronic band structure for this material has been calculated and is in good agreement with observed material properties.

AB - The structure of (formula presented) has been experimentally determined. The approach of atomic pair distribution function analysis was used because of the lack of well-defined Bragg peaks due to the short structural coherence (50 Å) in this intercalation compound. The reduction of Mo by Li results in Mo-Mo bonding with the formation of chains of distorted (formula presented) octahedra. Using refined structural parameters the electronic band structure for this material has been calculated and is in good agreement with observed material properties.

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U2 - 10.1103/PhysRevB.65.092105

DO - 10.1103/PhysRevB.65.092105

M3 - Article

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JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

SN - 1098-0121

IS - 9

ER -

Structure of nanocrystalline materials using atomic pair distribution function analysis: Study of (formula presented)

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