# Odd‐Stoichiometry and Secondary Phase Relations in Higher Manganese Silicides

https://mdr.nims.go.jp/datasets/6a86719d-9b7d-4723-a5aa-b26d8564ad73

## File

- [Manuscript_Odd-stoichiometry1.docx](https://mdr.nims.go.jp/filesets/174091b0-3685-452a-be32-3b40367ebd17/download) ([Detail](https://mdr.nims.go.jp/filesets/174091b0-3685-452a-be32-3b40367ebd17.md))

## Id

6a86719d-9b7d-4723-a5aa-b26d8564ad73

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-10-05T12:29:32.855392Z

## Updated at

2024-10-08T07:30:39.414578Z

## Published at

2024-10-08T07:30:39.481932Z

## Doi

https://doi.org/10.48505/nims.4807

## First published url

https://doi.org/10.1002/adfm.202313948

## Date published

2024-01-02

## Recorded date published

2024-4

## Resource type

journal_article

## Manuscript type

authors_original

## Collection



## Title

- title: Odd‐Stoichiometry and Secondary Phase Relations in Higher Manganese Silicides
  title_type: original
  lang: en

## Description

- description: Higher manganese silicides (denoted as MnSiγ) are a prominent class
    of intermetallic compound for thermoelectric applications that crystallizes into
    a Nowotny Chimney Ladder (NCL) phase and constitutes a higher concentration of
    silicon with odd stoichiometry typically represented by an irrational number.
    In this work, we present the genesis of Si odd stoichiometry and secondary phase
    relations in silicon-rich and silicon-deficient MnSix to present the significance
    of labile (i.e., easily alterable) Si-subsystem in inheriting the modulated lattice
    structure with characteristic anharmonicity as found using density functional
    theory-based phonon calculation in Mn4Si7, a representative commensurate structure.
    The transport properties show an interrelation to the presence of a secondary
    phase, which is driven by the odd stoichiometry, where the thermoelectric figure
    of merit is found to be optimal for MnSi1.74. The structural characterization
    of rapidly solidified melt-spun ribbons and spark plasma sintered bulk specimens
    reveal a characteristic presence of MnSi and Si as secondary phases in Si-deficient
    (x ~ 1.5) and Si-excess (x ~ 2) compositions of nominal MnSix, respectively that
    coexists with the major MnSiγ based NCL phase. This study provides the fundamental
    basis of phase evolution and the relevance of odd stoichiometry in silicon-rich
    manganese silicides which exhibits fascinating phonon dynamics in optimal MnSi1.74
    stoichiometry.
  description_type: abstract
  lang: und

## Creator

- name: Nagendra Singh Chauhan
  role: author
  orcid: https://orcid.org/0000-0003-2579-6642
  organization: National Institute for Materials Science
- name: Shivalingam Goud Sara
  role: author
- name: Amrita Bhattacharya
  role: author
- name: Takao Mori
  role: author
  orcid: https://orcid.org/0000-0003-2682-1846
  organization: National Institute for Materials Science
- name: Yuzuru Miyazaki
  role: author

## Contact agent



## Publisher

organization: Wiley

## Managing organization



## Keyword

- subject: thermoelectric
  schema: not_defined

## Rights

- description: 'This is the pre-peer reviewed version of the following article: N.
    S. Chauhan, S. G. Sara, A. Bhattacharya, T. Mori, Y. Miyazaki, Odd-Stoichiometry
    and Secondary Phase Relations in Higher Manganese Silicides. Adv. Funct. Mater.
    2024, 34, 2313948., which has been published in final form at https://doi.org/10.1002/adfm.202313948.
    This article may be used for non-commercial purposes in accordance with Wiley
    Terms and Conditions for Use of Self-Archived Versions.'
  identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Advanced Functional Materials
  issn: '16163028'
  volume: '34'
  issue: '17'
  article_number: '2313948'

## Conference



## Related item



## Funding

- identifier: 22H04580
  funder_name: Japan Society for the Promotion of Science

## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



## Software



## Custom property



## Fileset

- id: 174091b0-3685-452a-be32-3b40367ebd17
  filename: Manuscript_Odd-stoichiometry1.docx
  content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document
  size: 5099741
  md5: 5cf979e27369b0b808bfb116c1c2b369

## Thumbnail

fileset_id: 174091b0-3685-452a-be32-3b40367ebd17
filename: Manuscript_Odd-stoichiometry1.docx