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  Valley selectivity of soft x-ray excitations of core electrons in two-dimensional transition metal dichalcogenides

Geondzhian, A., Rubio, A., & Altarelli, M. (2022). Valley selectivity of soft x-ray excitations of core electrons in two-dimensional transition metal dichalcogenides. Physical Review B, 106(11): 115433. doi:10.1103/PhysRevB.106.115433.

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PhysRevB.106.115433.pdf (Publisher version), 7MB
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© the Author(s). Published by the American Physical Society

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https://arxiv.org/abs/2111.15385 (Preprint)
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https://doi.org/10.1103/PhysRevB.106.115433 (Publisher version)
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 Creators:
Geondzhian, A.1, 2, Author           
Rubio, A.1, 3, Author           
Altarelli, M.1, Author           
Affiliations:
1Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
2Max Planck POSTECH/KOREA Research Initiative, ou_persistent22              
3Center for Computational Quantum Physics (CCQ), The Flatiron Institute, ou_persistent22              

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 Abstract: Optical properties of semiconducting monolayer transition metal dichalcogenides have received a lot of attention in recent years, following the discovery of the valley selective optical population of either K+ or K valleys at the direct band gap, depending on the polarization of the incoming light. We use group theoretical selection rules, as well as ab initio DFT calculations, to investigate whether this valley selectivity effect is also present in x-ray optical transitions from the flat core level of the transition metal atom to the valence and conduction band K valleys. Valley selectivity is predicted for s, p1/2, and p3/2 edges in transitions to and from the valence band edges with circularly polarized radiation. Possible novel applications to the diagnostics of valleytronic properties and intervalley dynamics are investigated and the feasibility of ultrafast pump-probe and Kerr rotations experiments with suitable soft-x-ray free-electron laser sources is discussed.

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Language(s): eng - English
 Dates: 2022-09-042022-05-172022-09-072022-09-232022-09-15
 Publication Status: Issued
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 Rev. Type: Peer
 Identifiers: arXiv: 2111.15385
DOI: 10.1103/PhysRevB.106.115433
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Project name : We thank Kin-Fai Mak, Jie Shan, and Claudio Masciovecchio for interesting discussions. This work was supported by the Cluster of Excellence “CUI Advanced Imaging of Matter”- EXC 2056 - Project ID 390715994 and SFB-925 “Light induced dynamics and control of correlated quantum systems” - Project 170620586 of the Deutsche Forschungsgemeinschaft (DFG), and by the project Grupos Consolidados of the Basque University System (IT1249-19). A.G. thank Dong Eon Kim and was supported by a National Research Foundation of Korea grant funded by the Ministry of Science and ICT, Grant No. 2016K1A4A4A01922028.
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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 106 (11) Sequence Number: 115433 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008