Title

Stabilization of a Metastable Fibrous Bi 21.2(1)(Mn 1–xCo x ) 20 Phase with Pseudo-Pentagonal Symmetry Prepared Using a Bi Self-Flux

Campus Units

Chemistry, Physics and Astronomy, Ames Laboratory

Document Type

Article

Publication Version

Accepted Manuscript

Publication Date

2016

Journal or Book Title

Chemistry of Materials

Volume

28

Issue

23

First Page

8484

Last Page

8488

DOI

10.1021/acs.chemmater.6b04505

Abstract

Bi21.2(1)(Mn1-xCox)20 is a new metastable phase which is synthesized via Bi self-flux, adopts a highly fibrous morphology, and decomposes endothermically near 168 °C. It crys-tallizes in the orthorhombic space group Imma with unit cell parameters a = 19.067(4) Å, b = 4.6071(10) Å and c = 11.583(4) Å, adopting a low-temperature modification of BiNi-type struc-ture by forming columns along the b-axis. Wavelength-dispersive X-ray spectroscopy (WDS) confirms the presence of Co in the structure, which is found to be 7 at.%. In each column, the transition metal (T) and Bi atoms construct a double-walled nanotubular arrangement of atoms around the disordered central Bi atoms. Electronic structure calculations (LMTO-ASA, LSDA) show that the calculated Fermi level falls into a pseudogap and also indicate a possible low-temperature magnetic ordering in the phase.

Comments

This document is the Accepted Manuscript version of a Published Work that appeared in final form in Chemistry of Materials, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see DOI: 10.1021/acs.chemmater.6b04505. Posted with permission.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

Published Version

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