On the engineering of higher-order Van Hove singularities in two dimensions

Anirudh Chandrasekaran; Luke c. Rhodes; Edgar abarca Morales; Carolina a. Marques; Phil d. c. King; Peter Wahl; Joseph j. Betouras

doi:10.1038/s41467-024-53650-2

On the engineering of higher-order Van Hove singularities in two dimensions

Anirudh Chandrasekaran, Luke c. Rhodes, Edgar abarca Morales, Carolina a. Marques, Phil d. c. King, Peter Wahl, Joseph j. Betouras

Research output: Contribution to journal › Article › peer-review

Abstract

The properties of correlated electron materials are often intricately linked to Van Hove singularities (VHS) in the vicinity of the Fermi energy. The class of these VHS is of great importance, with higher-order ones—with power-law divergence in the density of states—leaving frequently distinct signatures in physical properties. We use a new theoretical method to detect and analyse higher-order VHS (HOVHS) in two-dimensional materials and apply it to the electronic structure of the surface layer of Sr2RuO4. We then constrain a low energy model of the VHS of the surface layer of Sr2RuO4 against angle-resolved photoemission spectroscopy and quasiparticle interference data to analyse the VHS near the Fermi level. We show how these VHS can be engineered into HOVHS.

Original language	English
Article number	9521
Journal	Nature Communications
Volume	15
Issue number	1
DOIs	https://doi.org/10.1038/s41467-024-53650-2
Publication status	Published - 4 Nov 2024

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1 Active
3 Finished

Solving superconductivity in ruthenates: Solving superconductivity in ruthenates
Wahl, P. (PI)
The Leverhulme Trust
1/03/23 → 31/08/26
Project: Standard
Strain-tuning electronic structure: Strain-tuning electronic structure and quantum many-body interactions
King, P. (PI)
EPSRC
1/11/20 → 31/10/24
Project: Standard
STEM - Strain-tuning of Emergent: Strain-Tuning of Emergent states of Matter
Wahl, P. (PI) & Rost, A. W. (CoI)
EPSRC
1/08/18 → 31/07/21
Project: Standard

Cite this

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title = "On the engineering of higher-order Van Hove singularities in two dimensions",

abstract = "The properties of correlated electron materials are often intricately linked to Van Hove singularities (VHS) in the vicinity of the Fermi energy. The class of these VHS is of great importance, with higher-order ones—with power-law divergence in the density of states—leaving frequently distinct signatures in physical properties. We use a new theoretical method to detect and analyse higher-order VHS (HOVHS) in two-dimensional materials and apply it to the electronic structure of the surface layer of Sr2RuO4. We then constrain a low energy model of the VHS of the surface layer of Sr2RuO4 against angle-resolved photoemission spectroscopy and quasiparticle interference data to analyse the VHS near the Fermi level. We show how these VHS can be engineered into HOVHS.",

author = "Anirudh Chandrasekaran and Rhodes, {Luke c.} and Morales, {Edgar abarca} and Marques, {Carolina a.} and King, {Phil d. c.} and Peter Wahl and Betouras, {Joseph j.}",

note = "We are grateful to the UK Engineering and Physical Sciences Research Council for funding via Grant Nos EP/T034351/1, EP/T02108X/1, EP/R031924/1 and EP/S005005/1. LCR and PW further acknowledge support from the Leverhulme Trust through RPG-2022-315. C.A.M. was supported by the Federal Commission for Scholarships for Foreign Students for the Swiss Government Excellence Scholarship (ESKAS No. 2023.0017) for the academic year 2023-24. This work used computational resources of the Cirrus UK National Tier-2 HPC Service at EPCC (http://www.cirrus.ac.uk) funded by the University of Edinburgh and EPSRC (EP/P020267/1) and of the High-Performance Computing cluster Kennedy of the University of St Andrews.",

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doi = "10.1038/s41467-024-53650-2",

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AU - Chandrasekaran, Anirudh

AU - Rhodes, Luke c.

AU - Morales, Edgar abarca

AU - Marques, Carolina a.

AU - King, Phil d. c.

AU - Wahl, Peter

AU - Betouras, Joseph j.

N1 - We are grateful to the UK Engineering and Physical Sciences Research Council for funding via Grant Nos EP/T034351/1, EP/T02108X/1, EP/R031924/1 and EP/S005005/1. LCR and PW further acknowledge support from the Leverhulme Trust through RPG-2022-315. C.A.M. was supported by the Federal Commission for Scholarships for Foreign Students for the Swiss Government Excellence Scholarship (ESKAS No. 2023.0017) for the academic year 2023-24. This work used computational resources of the Cirrus UK National Tier-2 HPC Service at EPCC (http://www.cirrus.ac.uk) funded by the University of Edinburgh and EPSRC (EP/P020267/1) and of the High-Performance Computing cluster Kennedy of the University of St Andrews.

PY - 2024/11/4

Y1 - 2024/11/4

N2 - The properties of correlated electron materials are often intricately linked to Van Hove singularities (VHS) in the vicinity of the Fermi energy. The class of these VHS is of great importance, with higher-order ones—with power-law divergence in the density of states—leaving frequently distinct signatures in physical properties. We use a new theoretical method to detect and analyse higher-order VHS (HOVHS) in two-dimensional materials and apply it to the electronic structure of the surface layer of Sr2RuO4. We then constrain a low energy model of the VHS of the surface layer of Sr2RuO4 against angle-resolved photoemission spectroscopy and quasiparticle interference data to analyse the VHS near the Fermi level. We show how these VHS can be engineered into HOVHS.

AB - The properties of correlated electron materials are often intricately linked to Van Hove singularities (VHS) in the vicinity of the Fermi energy. The class of these VHS is of great importance, with higher-order ones—with power-law divergence in the density of states—leaving frequently distinct signatures in physical properties. We use a new theoretical method to detect and analyse higher-order VHS (HOVHS) in two-dimensional materials and apply it to the electronic structure of the surface layer of Sr2RuO4. We then constrain a low energy model of the VHS of the surface layer of Sr2RuO4 against angle-resolved photoemission spectroscopy and quasiparticle interference data to analyse the VHS near the Fermi level. We show how these VHS can be engineered into HOVHS.

U2 - 10.1038/s41467-024-53650-2

DO - 10.1038/s41467-024-53650-2

M3 - Article

SN - 2041-1723

VL - 15

JO - Nature Communications

JF - Nature Communications

IS - 1

M1 - 9521

ER -

On the engineering of higher-order Van Hove singularities in two dimensions

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Projects

Solving superconductivity in ruthenates: Solving superconductivity in ruthenates

Strain-tuning electronic structure: Strain-tuning electronic structure and quantum many-body interactions

STEM - Strain-tuning of Emergent: Strain-Tuning of Emergent states of Matter

Cite this