Ab initio structure determination of icosahedral Zn-Mg-Ho quasicrystals by density modification method

Hiroyuki Takakura; Masaaki Shiono; Taku J. Sato; Akiji Yamamoto; An Pang Tsai

doi:10.1103/PhysRevLett.86.236

Ab initio structure determination of icosahedral Zn-Mg-Ho quasicrystals by density modification method

Hiroyuki Takakura, Masaaki Shiono, Taku J. Sato, Akiji Yamamoto, An Pang Tsai

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

63 Citations (Scopus)

Abstract

The structure of i-Zn₆₀Mg₃₁Ho₉ was directly determined by applying the low density elimination (LDE) method. The location, size, and shape of the occupation domains (ODs) in 6D unit cell were obtained without any model structure. The determined structure clarified the Ho sites in the 3D structure.

Original language	English
Pages (from-to)	236-239
Number of pages	4
Journal	Physical review letters
Volume	86
Issue number	2
DOIs	https://doi.org/10.1103/PhysRevLett.86.236
Publication status	Published - 2001 Jan 8
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy(all)

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10.1103/PhysRevLett.86.236

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title = "Ab initio structure determination of icosahedral Zn-Mg-Ho quasicrystals by density modification method",

abstract = "The structure of i-Zn60Mg31Ho9 was directly determined by applying the low density elimination (LDE) method. The location, size, and shape of the occupation domains (ODs) in 6D unit cell were obtained without any model structure. The determined structure clarified the Ho sites in the 3D structure.",

author = "Hiroyuki Takakura and Masaaki Shiono and Sato, {Taku J.} and Akiji Yamamoto and Tsai, {An Pang}",

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AU - Takakura, Hiroyuki

AU - Shiono, Masaaki

AU - Sato, Taku J.

AU - Yamamoto, Akiji

AU - Tsai, An Pang

PY - 2001/1/8

Y1 - 2001/1/8

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AB - The structure of i-Zn60Mg31Ho9 was directly determined by applying the low density elimination (LDE) method. The location, size, and shape of the occupation domains (ODs) in 6D unit cell were obtained without any model structure. The determined structure clarified the Ho sites in the 3D structure.

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Ab initio structure determination of icosahedral Zn-Mg-Ho quasicrystals by density modification method

Abstract

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