# Interfacial charge transfer and electronic structure of diamond/c-BN heterointerface

https://mdr.nims.go.jp/datasets/f907989d-700d-4bc1-844b-7b40c480109c

## File

- [manuscript.pdf](https://mdr.nims.go.jp/filesets/f88b16ae-b2e8-4a42-8e88-9f17a3f07240/download) ([Detail](https://mdr.nims.go.jp/filesets/f88b16ae-b2e8-4a42-8e88-9f17a3f07240.md))

## Id

f907989d-700d-4bc1-844b-7b40c480109c

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2023-11-10T08:32:45.201342Z

## Updated at

2024-01-05T13:14:02.856896Z

## Published at

2023-12-06T04:30:45.347232Z

## Doi

https://doi.org/10.48505/nims.4278

## First published url

https://doi.org/10.1016/j.commatsci.2022.111947

## Date published

2022-12-07

## Recorded date published

2023-2

## Resource type

journal_article

## Manuscript type

authors_original

## Collection



## Title

- title: Interfacial charge transfer and electronic structure of diamond/c-BN heterointerface
  title_type: original
  lang: en

## Description

- description: In this work, the interfacial structures and electronic properties
    of diamond and cubic boron nitride heterostructures are investigated using first
    principles calculation. It is found that the n-type (p-type) surface doping appears
    at the heterostructures with interface Csingle bondN (C—B) bonds, which is attributed
    to the interface charge transfer. The doping feature of heterostructures is determined
    by the interface bonds, and it is not related to the surface functionalization
    and crystal orientation. The areal electron (hole) density values are 6.57 × 1013
    — 1.57 × 1014 cm−2 (2.24 × 1014 — 3.72 × 1014 cm−2). This work is helpful for
    promoting diamond applied in electronic and opto-electronic devices.
  description_type: abstract
  lang: eng

## Creator

- name: Suna Jia
  role: author
- name: Shiyang Fu
  role: author
- name: Yaning Liu
  role: author
- name: Nan Gao
  role: author
- name: Hongdong Li
  role: author
- name: Meiyong Liao
  role: author
  orcid: https://orcid.org/0000-0003-1361-4266

## Contact agent



## Publisher

organization: Elsevier BV

## Managing organization



## Keyword

- subject: Diamond
  schema: not_defined
- subject: First-principles calculation
  schema: not_defined

## Rights

- identifier: http://rightsstatements.org/vocab/InC/1.0/

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## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: COMPUTATIONAL MATERIALS SCIENCE
  issn: '18790801'
  volume: '218'
  start_page: 111947
  end_page: 111947

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## Chemical composition



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## Fileset

- id: f88b16ae-b2e8-4a42-8e88-9f17a3f07240
  filename: manuscript.pdf
  content_type: application/pdf
  size: 2329797
  md5: bad8e5e5b889119173d23f0906092bd5

## Thumbnail

fileset_id: f88b16ae-b2e8-4a42-8e88-9f17a3f07240
filename: manuscript.pdf