Publication Date

2016

Department

Ames Laboratory; Chemistry; Physics and Astronomy

Campus Units

Ames Laboratory, Chemistry, Physics and Astronomy

OSTI ID+

1347900

Report Number

IS-J 9183

DOI

10.1021/acs.chemmater.6b04505

Journal Title

Chemistry of Materials

Volume Number

28

Issue Number

23

First Page

8484

Last Page

8488

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.

DOE Contract Number(s)

AC02-07CH11358

Language

en

Department of Energy Subject Categories

36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Publisher

Iowa State University Digital Repository, Ames IA (United States)

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