journal article·2025Open access

Structural phase transition, mechanics, and thermodynamics of heavy fermion metal UPt 3 under pressure

Hao Quan, Li Li, Jiang-Jiang Ma, Wei-Dong Li, Bao-Tian Wang

Journal of Materials Chemistry C· Volume 13· Issue 17

Abstract

An orthorhombic phase of UPt 3 was predicted under pressure using DFT and CALYPSO. Pressure-induced phase transition, P – T phase diagram, and changes of the electronic structure, elastic and thermodynamic properties were studied in DFT level.
Only a short abstract or summary was supplied by the source.
Source: crossref · Quality: short

Research context

OpenAlex topics: Rare-earth and actinide compounds · Intermetallics and Advanced Alloy Properties · Magnetic Properties of Alloys

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Institute of Theoretical Physics, State Key Laboratory of Quantum Optics and Quantum Optics Devices, Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan, 030006, P. R. China

Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, 100049, P. R. China

Spallation Neutron Source Science Center, Dongguan, 523803, P. R. China

School of Physics and Information Engineering, Shanxi Normal University, Taiyuan, 030031, P. R. China

Shenzhen Key Laboratory of Ultra Intense Laser and Advanced Material Technology, Center for Intense Laser Application Technology, and College of Engineering Physics, Shenzhen Technology University, Shenzhen, 518118, P. R. China

Funding

National Natural Science Foundation of China · Basic and Applied Basic Research Foundation of Guangdong Province

References (67)

Show source-provided references
1. Stewart · Rev. Mod. Phys. · 1984 · 56 · 75510.1103/RevModPhys.56.755 ↗
2. Ji · Phys. Rev. B · 2024 · 109 · 07515810.1103/PhysRevB.109.075158 ↗
3. Chajewski · Phys. Rev. Lett. · 2024 · 132 · 07650410.1103/PhysRevLett.132.076504 ↗
4. Huang · Phys. Rev. B · 2024 · 109 · 20513210.1103/PhysRevB.109.205132 ↗
5. Aoki · J. Phys.: Condens. Matter · 2022 · 34 · 243002
6. Schröder · Nature · 2000 · 407 · 35110.1038/35030039 ↗
7. Shimizu · Phys. Rev. B: Condens. Matter Mater. Phys. · 2015 · 92 · 24110110.1103/PhysRevB.92.241101 ↗
8. Senthil · Phys. Rev. B: Condens. Matter Mater. Phys. · 2004 · 69 · 03511110.1103/PhysRevB.69.035111 ↗
9. Ohashi · Phys. Rev. B · 2024 · 110 · 17452110.1103/PhysRevB.110.174521 ↗
10. Ran · Science · 2019 · 365 · 68410.1126/science.aav8645 ↗
11. Tsutsumi · J. Phys. Soc. Jpn. · 2012 · 81 · 07471710.1143/JPSJ.81.074717 ↗
12. Shimizu · Phys. Rev. Lett. · 2019 · 122 · 06700110.1103/PhysRevLett.122.067001 ↗
13. Arko · Phys. Rev. Lett. · 1984 · 53 · 205010.1103/PhysRevLett.53.2050 ↗
14. Visser · J. Phys. F: Met. Phys. · 1984 · 14 · L19110.1088/0305-4608/14/9/005 ↗
15. Schemm · Science · 2014 · 345 · 19010.1126/science.1248552 ↗
16. Triola · Phys. Rev. B · 2018 · 97 · 06450510.1103/PhysRevB.97.064505 ↗
17. Adenwalla · Phys. Rev. Lett. · 1990 · 65 · 229810.1103/PhysRevLett.65.2298 ↗
18. Huxley · Nature · 2000 · 406 · 16010.1038/35018020 ↗
19. Aeppli · Phys. Rev. Lett. · 1988 · 60 · 61510.1103/PhysRevLett.60.615 ↗
20. Joynt · Rev. Mod. Phys. · 2002 · 74 · 23510.1103/RevModPhys.74.235 ↗
21. Gannon · Phys. Rev. B: Condens. Matter Mater. Phys. · 2012 · 86 · 10451010.1103/PhysRevB.86.104510 ↗
22. Youichi Yanase · Phys. Rev. B · 2017 · 95 · 22451410.1103/PhysRevB.95.224514 ↗
23. Kawasaki · Phys. Rev. B · 2023 · 108 · 16512710.1103/PhysRevB.108.165127 ↗
24. Wang · Phys. Rev. B: Condens. Matter Mater. Phys. · 2013 · 88 · 10410710.1103/PhysRevB.88.104107 ↗
25. Ma · Phys. Rev. B · 2021 · 104 · 17410310.1103/PhysRevB.104.174103 ↗
26. Saxena · Nature · 2000 · 406 · 58710.1038/35020500 ↗
27. Huxley · Phys. Rev. B: Condens. Matter Mater. Phys. · 2001 · 63 · 14451910.1103/PhysRevB.63.144519 ↗
28. Kitaoka · J. Phys.: Condens. Matter · 2005 · 17 · S975
29. Hu · Phys. Lett. A · 2022 · 451 · 12840110.1016/j.physleta.2022.128401 ↗
30. Deng · Phys. Rev. B · 2024 · 110 · 07514010.1103/PhysRevB.110.075140 ↗
31. Benedict · J. Magn. Magn. Mater. · 1987 · 63 & 64 · 40310.1016/0304-8853(87)90622-6 ↗
32. Sieck · Physica B · 1995 · 206–207 · 60310.1016/0921-4526(94)00532-Z ↗
33. Trappmann · Phys. Rev. B: Condens. Matter Mater. Phys. · 1991 · 43 · 1371410.1103/PhysRevB.43.13714 ↗
34. Dijk · J. Low Temp. Phys. · 1993 · 93 · 10110.1007/BF00682283 ↗
35. Gouchi · Phys. Rev. B · 2016 · 93 · 17451410.1103/PhysRevB.93.174514 ↗
36. Hayden · Phys. Rev. B: Condens. Matter Mater. Phys. · 1992 · 46 · 867510.1103/PhysRevB.46.8675 ↗
37. Wang · Phys. Rev. B: Condens. Matter Mater. Phys. · 2010 · 82 · 09411610.1103/PhysRevB.82.094116 ↗
38. Wang · Comput. Phys. Commun. · 2012 · 183 · 206310.1016/j.cpc.2012.05.008 ↗
39. Pan · Acta Mater. · 2024 · 263 · 11948910.1016/j.actamat.2023.119489 ↗
40. Guo · Phys. Rev. B · 2016 · 94 · 13410410.1103/PhysRevB.94.134104 ↗
41. Wang · Phys. Lett. A · 2018 · 382 · 295910.1016/j.physleta.2018.06.040 ↗
42. Cao · Phys. Chem. Chem. Phys. · 2024 · 26 · 1922810.1039/D4CP02037E ↗
43. Kresse · Phys. Rev. B: Condens. Matter Mater. Phys. · 1993 · 47 · 55810.1103/PhysRevB.47.558 ↗
44. Kresse · Comput. Mater. Sci. · 1996 · 6 · 1510.1016/0927-0256(96)00008-0 ↗
45. Blöchl · Phys. Rev. B: Condens. Matter Mater. Phys. · 1994 · 50 · 1795310.1103/PhysRevB.50.17953 ↗
46. Kohn · Phys. Rev. · 1965 · 140 · A113310.1103/PhysRev.140.A1133 ↗
47. Monkhorst · Phys. Rev. B · 1976 · 13 · 518810.1103/PhysRevB.13.5188 ↗
48. Dudarev · Phys. Rev. B: Condens. Matter Mater. Phys. · 1998 · 57 · 150510.1103/PhysRevB.57.1505 ↗
49. Quan · Mater. Today Commun. · 2024 · 38 · 10833710.1016/j.mtcomm.2024.108337 ↗
50. Gonze · Phys. Rev. B: Condens. Matter Mater. Phys. · 1997 · 55 · 1035510.1103/PhysRevB.55.10355 ↗
51. Togo · Scr. Mater. · 2015 · 108 · 110.1016/j.scriptamat.2015.07.021 ↗
52. Siegel · Phys. Rev. B: Condens. Matter Mater. Phys. · 2006 · 74 · 10411610.1103/PhysRevB.74.104116 ↗
53. Walko · Phys. Rev. B: Condens. Matter Mater. Phys. · 2001 · 63 · 05452210.1103/PhysRevB.63.054522 ↗
54. Hill · Proc. Phys. Soc., London, Sect. A · 2002 · 65 · 34910.1088/0370-1298/65/5/307 ↗
55. H. H.Hill , Plutonium and other actinides , Metallurgical Society of AMIE , New York , 1970
56. Pan · J. Nucl. Mater. · 2023 · 579 · 15439410.1016/j.jnucmat.2023.154394 ↗
57. Sheng · J. Appl. Phys. · 1994 · 75 · 703510.1063/1.356718 ↗
58. Becke · J. Chem. Phys. · 1990 · 92 · 539710.1063/1.458517 ↗
59. J. F.Nye , Physical Properties of Crystals: Their Representation by Tensors and Matrices , Oxford University Press , Great Britain , 1957
60. Grimvall · Rev. Mod. Phys. · 2012 · 84 · 94510.1103/RevModPhys.84.945 ↗
61. Bai · Phys. Rev. B · 2024 · 109 · 14410510.1103/PhysRevB.109.144105 ↗
62. Jiao · Acta Mater. · 2025 · 285 · 12066710.1016/j.actamat.2024.120667 ↗
63. Wang · J. Appl. Phys. · 2011 · 109
64. Zhang · Chin. Phys. B · 2017 · 26 · 06610410.1088/1674-1056/26/6/066104 ↗
65. Dujana · AIP Adv. · 2021 · 11 · 10520510.1063/5.0064021 ↗
66. Srivastav · J. Pure Appl. Ultrson. · 2024 · 46 · 3
67. Xu · J. Nucl. Mater. · 2023 · 581 · 15444810.1016/j.jnucmat.2023.154448 ↗