# Dome structure in pressure dependence of superconducting transition temperature for <math>  <mrow>    <msub>      <mi>HgBa</mi>      <mn>2</mn>    </msub>    <msub>      <mi>Ca</mi>      <mn>2</mn>    </msub>    <msub>      <mi>Cu</mi>      <mn>3</mn>    </msub>    <msub>      <mi>O</mi>      <mn>8</mn>    </msub>  </mrow></math>: Studies by <i>ab initio</i> low-energy effective Hamiltonian

https://mdr.nims.go.jp/datasets/0a883283-5c20-45cf-b288-9b9ff308ea2c

## File

- [PhysRevResearch.6.023163.pdf](https://mdr.nims.go.jp/filesets/ea1c8f42-a873-4e95-b7b3-a2dea323676c/download) ([Detail](https://mdr.nims.go.jp/filesets/ea1c8f42-a873-4e95-b7b3-a2dea323676c.md))

## Id

0a883283-5c20-45cf-b288-9b9ff308ea2c

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-02-26T09:40:39.468418Z

## Updated at

2025-02-27T07:31:03.671564Z

## Published at

2025-02-27T07:31:03.760248Z

## Doi



## First published url

https://doi.org/10.1103/physrevresearch.6.023163

## Date published

2024-05-13

## Recorded date published

2024-5

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: "Dome structure in pressure dependence of superconducting transition temperature
    for \n<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"><mml:mrow><mml:msub><mml:mi>HgBa</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Ca</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Cu</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:msub><mml:mi
    mathvariant=\"normal\">O</mml:mi><mml:mn>8</mml:mn></mml:msub></mml:mrow></mml:math>\n:
    Studies by \n<i>ab initio</i>\n low-energy effective Hamiltonian"
  title_type: original
  lang: en

## Description

- description: 'The superconducting (SC) cuprate HgBa2Ca2Cu3O8 (Hg1223) has the highest
    Toptc≃138 K (the experimental SC transition temperature at optimal hole doping)
    among cuprates at ambient pressure Pamb. Toptc increases under pressure P and
    reaches 164 K at Popt≃30 GPa, then decreases with increasing P>Popt. To understand
    the microscopic origin of this dome-like P dependence of Toptc, we consider the
    ab initio low-energy effective Hamiltonian (LEH) for the antibonding (AB) Cu3dx2−y2/O2pσ
    band. In the AB LEH for cuprates with Nℓ≤2 laminated CuO2 planes between block
    layers, it was proposed that Toptc≃0.16|t1|FSC, where t1 is the nearest neighbor
    hopping and the SC order parameter FSC at optimal hole doping mainly depends on
    u=U/|t1| (U is the onsite effective Coulomb repulsion): FSC is maximal at uopt≃8.5
    and decreases sharply with decreasing u for u<uopt. In this paper, we show that
    (I) |t1| increases with P, whereas (II) u decreases with P in the AB LEH of Hg1223.
    Based on (I,II), the dome-like P dependence of Toptc emerges if we assume (A)
    Hg1223 with Nℓ=3 obeys Toptc≃0.16|t1|FSC, and (B) u≳uopt at Pamb and u≃uopt at
    Popt by including expected corrections to our ab initio calculation. The consequence
    of (A,B) is the following: At P<Popt, the increase in Toptc is accounted for by
    (I) whereas FSC is insensitive to (II) and hence to P. At P>Popt, the decrease
    in Toptc is accounted for by (II): The rapid decrease in FSC with decreasing u
    for u<uopt dominates over (I). We support (A,B) based on studies of other cuprates.'
  description_type: abstract
  lang: und

## Creator

- name: Jean-Baptiste Morée
  role: author
  orcid: https://orcid.org/0000-0002-0710-9880
- name: Youhei Yamaji
  role: author
  orcid: https://orcid.org/0000-0002-4055-8792
- name: Masatoshi Imada
  role: author
  orcid: https://orcid.org/0000-0002-5511-2056

## Contact agent



## Publisher

organization: American Physical Society (APS)

## Managing organization



## Keyword

- subject: high-temperature superconductivity
  schema: not_defined
- subject: ab initio calculation
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: Physical Review Research
  issn: '26431564'
  volume: '6'
  issue: '2'
  article_number: '023163'

## Conference



## Related item



## Funding

- identifier: JPMXP1020200104
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: JPMXP1020230411
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: hp200132
  funder_name: RIKEN
- identifier: hp210163
  funder_name: RIKEN
- identifier: hp220166
  funder_name: RIKEN
- identifier: hp230169
  funder_name: RIKEN
- identifier: JP22H05111
  funder_name: Japan Society for the Promotion of Science
- identifier: JP22H05114
  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: ea1c8f42-a873-4e95-b7b3-a2dea323676c
  filename: PhysRevResearch.6.023163.pdf
  content_type: application/pdf
  size: 4862385
  md5: e705b43404f96e1813ba4ede3bf65c1b

## Thumbnail

fileset_id: ea1c8f42-a873-4e95-b7b3-a2dea323676c
filename: PhysRevResearch.6.023163.pdf