# Superconductivity of alkali-metal intercalated BC2

https://mdr.nims.go.jp/datasets/107e8b35-9cbf-4d7e-8f2b-084634c15471

## File

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## Id

107e8b35-9cbf-4d7e-8f2b-084634c15471

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2026-05-11T00:57:31.288071Z

## Updated at

2026-05-11T06:13:20.016323Z

## Published at

2026-05-11T07:25:05.200488Z

## Doi



## First published url

https://doi.org/10.1063/5.0008280

## Date published

2020-06-01

## Recorded date published

2020-6-1

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Superconductivity of alkali-metal intercalated BC2
  title_type: original
  lang: en

## Description

- description: The superconductivity of alkali-metal intercalated BC2, MxBC2 (M =
    Li, Na, and K; x = 0.5–1.5), has been studied using first-principles calculations.
    The calculated critical temperature (Tc) values are substantially high at x =
    0.5 (49.8–57.1 K), which are higher than those for MgB2 and close to those predicted
    for LixByCz compounds. The Tc values at x = 1.5 are comparatively low (0.6–5.6
    K) and close to those for graphite intercalation compounds. No superconductivity
    is observed at x = 1.0 for all alkali metals. An analysis of the electronic structures
    reveals that at x = 0.5, the state at the Fermi energy includes the σ bond character.
    In contrast, at x = 1.5, the state includes only π bonds comprising pz orbitals
    of B and C atoms. The σ bond character is essential for attaining high Tc values
    because the σ bond couples strongly with the bending-like phonon modes of the
    BC2 layer. However, the π bond couples weakly with the stretching-like phonon
    modes due to the small overlap of the pz orbitals, which results in a relatively
    low Tc for the material.
  description_type: abstract
  lang: und

## Creator

- name: Wataru Hayami
  role: author
  orcid: https://orcid.org/0000-0003-0497-8690
  organization: National Institute for Materials Science
- name: Takaho Tanaka
  role: author

## Contact agent



## Publisher

organization: AIP Publishing

## Managing organization



## Keyword

- subject: Boron carbide
  schema: not_defined
- subject: superconductivity
  schema: not_defined
- subject: intercalation
  schema: not_defined

## Rights

- description: Copyright 2020 Author(s). This article is distributed under a Creative
    Commons Attribution (CC BY) License
  identifier: https://creativecommons.org/licenses/by/4.0/
  date_licensed: 2020-06-09

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: AIP Advances
  issn: '21583226'
  volume: '10'
  issue: '6'
  start_page: 65213

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## Specimen



## Chemical composition



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## Fileset

- id: 153a224e-bad5-4c17-b684-d446832b24db
  filename: AIPA_10_065213_2020.pdf
  content_type: application/pdf
  size: 3732015
  md5: 325356a9ba1afba358ad475d5d959212

## Thumbnail

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filename: AIPA_10_065213_2020.pdf