Orbital-selective band hybridisation at the charge density wave transition in monolayer TiTe2

Research output: Contribution to journal › Journal article › Research › peer-review

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Orbital-selective band hybridisation at the charge density wave transition in monolayer TiTe2. / Antonelli, Tommaso; Rahim, Warda; Watson, Matthew D.; Rajan, Akhil; Clark, Oliver J.; Danilenko, Alisa; Underwood, Kaycee; Markovic, Igor; Abarca-Morales, Edgar; Kavanagh, Sean R.; Le Fevre, P.; Bertran, F.; Rossnagel, K.; Scanlon, David O.; King, Phil D. C.

In: npj Quantum Materials, Vol. 7, No. 1, 98, 27.09.2022.

Research output: Contribution to journal › Journal article › Research › peer-review

Harvard

Antonelli, T, Rahim, W, Watson, MD, Rajan, A, Clark, OJ, Danilenko, A, Underwood, K, Markovic, I, Abarca-Morales, E, Kavanagh, SR, Le Fevre, P, Bertran, F, Rossnagel, K, Scanlon, DO & King, PDC 2022, 'Orbital-selective band hybridisation at the charge density wave transition in monolayer TiTe2', npj Quantum Materials, vol. 7, no. 1, 98. https://doi.org/10.1038/s41535-022-00508-9

APA

Antonelli, T., Rahim, W., Watson, M. D., Rajan, A., Clark, O. J., Danilenko, A., Underwood, K., Markovic, I., Abarca-Morales, E., Kavanagh, S. R., Le Fevre, P., Bertran, F., Rossnagel, K., Scanlon, D. O., & King, P. D. C. (2022). Orbital-selective band hybridisation at the charge density wave transition in monolayer TiTe2. npj Quantum Materials, 7(1), [98]. https://doi.org/10.1038/s41535-022-00508-9

Vancouver

Antonelli T, Rahim W, Watson MD, Rajan A, Clark OJ, Danilenko A et al. Orbital-selective band hybridisation at the charge density wave transition in monolayer TiTe2. npj Quantum Materials. 2022 Sep 27;7(1). 98. https://doi.org/10.1038/s41535-022-00508-9

Author

Antonelli, Tommaso ; Rahim, Warda ; Watson, Matthew D. ; Rajan, Akhil ; Clark, Oliver J. ; Danilenko, Alisa ; Underwood, Kaycee ; Markovic, Igor ; Abarca-Morales, Edgar ; Kavanagh, Sean R. ; Le Fevre, P. ; Bertran, F. ; Rossnagel, K. ; Scanlon, David O. ; King, Phil D. C. / Orbital-selective band hybridisation at the charge density wave transition in monolayer TiTe2. In: npj Quantum Materials. 2022 ; Vol. 7, No. 1.

Bibtex

@article{603deab0124342d3921e0a2d80d8bbf0,
title = "Orbital-selective band hybridisation at the charge density wave transition in monolayer TiTe2",
abstract = "Reducing the thickness of a material to its two-dimensional (2D) limit can have dramatic consequences for its collective electronic states, including magnetism, superconductivity, and charge and spin ordering. An extreme case is TiTe2, where a charge density wave (CDW) emerges in the single-layer, which is absent for the bulk compound, and whose origin is still poorly understood. Here, we investigate the electronic band structure evolution across this CDW transition using temperature-dependent angle-resolved photoemission spectroscopy. Our study reveals an orbital-selective band hybridisation between the backfolded conduction and valence bands occurring at the CDW phase transition, which in turn leads to a significant electronic energy gain, underpinning the CDW transition. For the bulk compound, we show how this energy gain is almost completely suppressed due to the three-dimensionality of the electronic band structure, including via a k(z)-dependent band inversion which switches the orbital character of the valence states. Our study thus sheds new light on how control of the electronic dimensionality can be used to trigger the emergence of new collective states in 2D materials.",
keywords = "TOTAL-ENERGY CALCULATIONS, SURFACE-STATES, DIAMOND, SOLIDS",
author = "Tommaso Antonelli and Warda Rahim and Watson, {Matthew D.} and Akhil Rajan and Clark, {Oliver J.} and Alisa Danilenko and Kaycee Underwood and Igor Markovic and Edgar Abarca-Morales and Kavanagh, {Sean R.} and {Le Fevre}, P. and F. Bertran and K. Rossnagel and Scanlon, {David O.} and King, {Phil D. C.}",
year = "2022",
month = sep,
day = "27",
doi = "10.1038/s41535-022-00508-9",
language = "English",
volume = "7",
journal = "npj Quantum Materials",
issn = "2397-4648",
publisher = "Nature Publishing Group",
number = "1",

}

RIS

TY - JOUR

T1 - Orbital-selective band hybridisation at the charge density wave transition in monolayer TiTe2

AU - Antonelli, Tommaso

AU - Rahim, Warda

AU - Watson, Matthew D.

AU - Rajan, Akhil

AU - Clark, Oliver J.

AU - Danilenko, Alisa

AU - Underwood, Kaycee

AU - Markovic, Igor

AU - Abarca-Morales, Edgar

AU - Kavanagh, Sean R.

AU - Le Fevre, P.

AU - Bertran, F.

AU - Rossnagel, K.

AU - Scanlon, David O.

AU - King, Phil D. C.

PY - 2022/9/27

Y1 - 2022/9/27

N2 - Reducing the thickness of a material to its two-dimensional (2D) limit can have dramatic consequences for its collective electronic states, including magnetism, superconductivity, and charge and spin ordering. An extreme case is TiTe2, where a charge density wave (CDW) emerges in the single-layer, which is absent for the bulk compound, and whose origin is still poorly understood. Here, we investigate the electronic band structure evolution across this CDW transition using temperature-dependent angle-resolved photoemission spectroscopy. Our study reveals an orbital-selective band hybridisation between the backfolded conduction and valence bands occurring at the CDW phase transition, which in turn leads to a significant electronic energy gain, underpinning the CDW transition. For the bulk compound, we show how this energy gain is almost completely suppressed due to the three-dimensionality of the electronic band structure, including via a k(z)-dependent band inversion which switches the orbital character of the valence states. Our study thus sheds new light on how control of the electronic dimensionality can be used to trigger the emergence of new collective states in 2D materials.

AB - Reducing the thickness of a material to its two-dimensional (2D) limit can have dramatic consequences for its collective electronic states, including magnetism, superconductivity, and charge and spin ordering. An extreme case is TiTe2, where a charge density wave (CDW) emerges in the single-layer, which is absent for the bulk compound, and whose origin is still poorly understood. Here, we investigate the electronic band structure evolution across this CDW transition using temperature-dependent angle-resolved photoemission spectroscopy. Our study reveals an orbital-selective band hybridisation between the backfolded conduction and valence bands occurring at the CDW phase transition, which in turn leads to a significant electronic energy gain, underpinning the CDW transition. For the bulk compound, we show how this energy gain is almost completely suppressed due to the three-dimensionality of the electronic band structure, including via a k(z)-dependent band inversion which switches the orbital character of the valence states. Our study thus sheds new light on how control of the electronic dimensionality can be used to trigger the emergence of new collective states in 2D materials.

KW - TOTAL-ENERGY CALCULATIONS

KW - SURFACE-STATES

KW - DIAMOND

KW - SOLIDS

U2 - 10.1038/s41535-022-00508-9

DO - 10.1038/s41535-022-00508-9

M3 - Journal article

VL - 7

JO - npj Quantum Materials

JF - npj Quantum Materials

SN - 2397-4648

IS - 1

M1 - 98

ER -

ID: 321840284