Exploring two-dimensional van der Waals heavy-fermion material: Data mining theoretical approach
Source abstract
Abstract
Abstract The discovery of two-dimensional (2D) van der Waals (vdW) materials often provides interesting playgrounds to explore novel phenomena. One of the missing components in 2D vdW materials is the intrinsic heavy-fermion systems, which can provide an additional degree of freedom to study quantum critical point (QCP), unconventional superconductivity, and emergent phenomena in vdW heterostructures. Here, we investigate 2D vdW heavy-fermion candidates through the database of experimentally known compounds based on dynamical mean-field theory calculation combined with density functional theory (DFT+DMFT). We have found that the Kondo resonance state of CeSiI does not change upon exfoliation and can be easily controlled by strain and surface doping. Our result indicates that CeSiI is an ideal 2D vdW heavy-fermion material and the quantum critical point can be identified by external perturbations.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: 2D Materials and Applications · Superconductivity in MgB2 and Alloys · Rare-earth and actinide compounds
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (47)
Show source-provided references
1. Huang, B. et al. Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limit. Nature 546, 270 (2017).10.1038/nature22391 ↗
2. Gong, C. et al. Discovery of intrinsic ferromagnetism in two-dimensional van der Waals crystals. Nature 546, 265 (2017).10.1038/nature22060 ↗
3. Bonilla, M. et al. Strong room-temperature ferromagnetism in VSe2 monolayers on van der Waals substrates. Nat. Nanotechnol. 13, 289 (2018).10.1038/s41565-018-0063-9 ↗
4. O’Hara, D. J. et al. Room temperature intrinsic ferromagnetism in epitaxial manganese selenide films in the monolayer limit. Nano Lett. 18, 3125 (2018).10.1021/acs.nanolett.8b00683 ↗
5. Kim, K. et al. Large anomalous Hall current induced by topological nodal lines in a ferromagnetic van der Waals semimetal. Nat. Mater. 17, 794 (2018).10.1038/s41563-018-0132-3 ↗
6. Seo, J. et al. Nearly room temperature ferromagnetism in a magnetic metal-rich van der Waals metal. Sci. Adv. 6, eaay8912 (2020).10.1126/sciadv.aay8912 ↗
7. Hegger, H. et al. Pressure-induced superconductivity in quasi-2D CeRhIn5. Phys. Rev. Lett. 84, 4986 (2000).10.1103/PhysRevLett.84.4986 ↗
8. Park, T. et al. Hidden magnetism and quantum criticality in the heavy fermion superconductor CeRhIn5. Nature 440, 65 (2006).10.1038/nature04571 ↗
9. Seo, S. et al. Controlling superconductivity by tunable quantum critical points. Nat. Commun. 6, 6433 (2015).10.1038/ncomms7433 ↗
10. Jiao, L. et al. Fermi surface reconstruction and multiple quantum phase transitions in the antiferromagnet CeRhIn5. Proc. Natl. Acad. Sci. USA 112, 673 (2015).10.1073/pnas.1413932112 ↗
11. Küchler, R. et al. Quantum criticality in the cubic heavy-fermion system CeIn3−xSnx. Phys. Rev. Lett. 96, 256403 (2006).10.1103/PhysRevLett.96.256403 ↗
12. Sebastian, S. E. et al. Heavy holes as a precursor to superconductivity in antiferromagnetic CeIn3. Proc. Natl. Acad. Sci. USA 106, 7741 (2009).10.1073/pnas.0811859106 ↗
13. Knebel, G., Braithwaite, D., Canfield, P. C., Lapertot, G. & Flouquet, J. Electronic properties of CeIn3 under high pressure near the quantum critical point. Phys. Rev. B 65, 024425 (2001).10.1103/PhysRevB.65.024425 ↗
14. Iizuka, T., Mizuno, T., Hun Min, B., Seung Kwon, Y. & Kimura, S.-i Existence of heavy fermions in the antiferromagnetic phase of CeIn3. J. Phys. Soc. Jpn. 81, 043703 (2012).10.1143/JPSJ.81.043703 ↗
15. Yamaoka, H. et al. Role of valence fluctuations in the superconductivity of Ce122 compounds. Phys. Rev. Lett. 113, 086403 (2014).10.1103/PhysRevLett.113.086403 ↗
16. Yuan, H. et al. Observation of two distinct superconducting phases in CeCu2Si2. Science 302, 2104 (2003).10.1126/science.1091648 ↗
17. Ren, Z. et al. Giant overlap between the magnetic and superconducting phases of CeAu2Si2 under pressure. Phys. Rev. X 4, 031055 (2014).
18. Shishido, H. et al. Tuning the dimensionality of the heavy fermion compound Celn3. Science 327, 980 (2010).10.1126/science.1183376 ↗
19. Mizukami, Y. et al. Extremely strong-coupling superconductivity in artificial two-dimensional Kondo lattices. Nat. Phys. 7, 849 (2011).10.1038/nphys2112 ↗
20. Shimozawa, M. et al. Controllable Rashba spin–orbit interaction in artificially engineered superlattices involving the heavy-fermion superconductor CeCoIn5. Phy. Rev. Lett. 112, 156404 (2014).10.1103/PhysRevLett.112.156404 ↗
21. Goh, S. K. et al. Anomalous upper critical field in CeCoIn5/YbCoIn5 superlattices with a Rashba-type heavy fermion interface. Phys. Rev. Lett. 109, 157006 (2012).10.1103/PhysRevLett.109.157006 ↗
22. Naritsuka, M. et al. Tuning the pairing interaction in a d-wave superconductor by paramagnons injected through interfaces. Phys. Rev. Lett. 120, 187002 (2018).10.1103/PhysRevLett.120.187002 ↗
23. Naritsuka, M. et al. Coupling between the heavy-fermion superconductor CeCoIn5 and the antiferromagnetic metal CeIn3 through the atomic interface. Phys. Rev. B 100, 024507 (2019).10.1103/PhysRevB.100.024507 ↗
24. Naritsuka, M., Terashima, T. & Matsuda, Y. Controlling unconventional superconductivity in artificially engineered f-electron kondo superlattices. J. Phys.: Condens. Matter 33, 273001 (2021).
25. Vaňo, V. et al. Artificial heavy fermions in a van der Waals heterostructure. Nature 599, 582 (2021).10.1038/s41586-021-04021-0 ↗
26. Ruan, W. et al. Evidence for quantum spin liquid behaviour in single-layer 1T-TaSe2 from scanning tunnelling microscopy. Nat. Phys. 17, 1154 (2021).10.1038/s41567-021-01321-0 ↗
27. Ramires, A. & Lado, J. L. Emulating heavy fermions in twisted trilayer graphene. Phys. Rev. Lett. 127, 026401 (2021).10.1103/PhysRevLett.127.026401 ↗
28. Mounet, N. et al. Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds. Nat. Nanotechnol. 13, 246 (2018).10.1038/s41565-017-0035-5 ↗
29. Kim, J. et al. Topological phase transition in the archetypal f-electron correlated system of cerium. Phys. Rev. B 100, 195138 (2019).10.1103/PhysRevB.100.195138 ↗
30. Jungmann, A. et al. Photoemission of LaI2 and CeI2. Z. Phys. B 97, 25 (1995).10.1007/BF01317584 ↗
31. Okuma, R., Ritter, C., Nilsen, G. J. & Okada, Y. Magnetic frustration in a van der Waals metal CeSiI. Phys. Rev. Mater. 5, L121401 (2021).10.1103/PhysRevMaterials.5.L121401 ↗
32. Cahangirov, S., Topsakal, M., Aktürk, E., Şahin, H. & Ciraci, S. Two- and one-dimensional honeycomb structures of silicon and germanium. Phys. Rev. Lett. 102, 236804 (2009).10.1103/PhysRevLett.102.236804 ↗
33. Mattausch, H. & Simon, A. Si6, Si14, and Si22 Rings in iodide silicides of rare earth metals. Angew. Chem. Int. Ed. 37, 499 (1998).10.1002/(SICI)1521-3773(19980302)37:4<499::AID-ANIE499>3.0.CO;2-J ↗
34. Choi, H. C., Min, B. I., Shim, J. H., Haule, K. & Kotliar, G. Temperature-dependent Fermi surface evolution in heavy Fermion CeIrIn5. Phys. Rev. Lett. 108, 016402 (2012).10.1103/PhysRevLett.108.016402 ↗
35. Kang, H., Haule, K., Kotliar, G., Coleman, P. & Shim, J.-H. Energy scales of the doped Anderson lattice model. Phys. Rev. B 99, 165115 (2019).10.1103/PhysRevB.99.165115 ↗
36. Choi, H. C., Haule, K., Kotliar, G., Min, B. I. & Shim, J. H. Observation of a kink during the formation of the Kondo resonance band in a heavy-fermion system. Phys. Rev. B 88, 125111 (2013).10.1103/PhysRevB.88.125111 ↗
37. Kumar, R. et al. The crystal structure of CeRhIn5 under pressure. Phys. B: Condens. Matter 359–361, 407 (2005).10.1016/j.physb.2005.01.081 ↗
38. Si, Q. Global magnetic phase diagram and local quantum criticality in heavy fermion metals. Phys. B: Condens. Matter 378–380, 23 (2006).10.1016/j.physb.2006.01.156 ↗
39. Si, Q. Quantum criticality and global phase diagram of magnetic heavy fermions. Phys. Status Solidi (b) 247, 476 (2010).10.1002/pssb.200983082 ↗
40. Custers, J. et al. Destruction of the Kondo effect in the cubic heavy-fermion compound Ce3Pd20Si6. Nat. Mater. 11, 189 (2012).10.1038/nmat3214 ↗
41. Friedemann, S. et al. Detaching the antiferromagnetic quantum critical point from the Fermi-surface reconstruction in YbRh2Si2. Nat. Phys. 5, 465 (2009).10.1038/nphys1299 ↗
42. Tomita, T., Kuga, K., Uwatoko, Y., Coleman, P. & Nakatsuji, S. Strange metal without magnetic criticality. Science 349, 506 (2015).10.1126/science.1262054 ↗
43. Nguyen, D. et al. Superconductivity in an extreme strange metal. Nat. Commun. 12, 1 (2021).10.1038/s41467-021-24670-z ↗
44. Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169 (1996).10.1103/PhysRevB.54.11169 ↗
45. Haule, K., Yee, C.-H. & Kim, K. Dynamical mean-field theory within the full-potential methods: electronic structure of CeIrIn5, CeCoIn5, and CeRhIn5. Phys. Rev. B 81, 195107 (2010).10.1103/PhysRevB.81.195107 ↗
46. Blaha, P. et al. WIEN2k: an APW+lo program for calculating the properties of solids. J. Chem. Phys. 152, 074101 (2020).10.1063/1.5143061 ↗
47. Haule, K. Quantum Monte Carlo impurity solver for cluster dynamical mean-field theory and electronic structure calculations with adjustable cluster base. Phys. Rev. B 75, 155113 (2007).10.1103/PhysRevB.75.155113 ↗