journal article·2024-02-16Open access

Electronic structure of nitrogen-doped lutetium hydrides

Adam Denchfield, Hyowon Park, Russell J. Hemley

Physical Review Materials· Volume 8· Issue 2

Abstract

Hydrides at high pressures constitute the only materials to be superconducting above 200 K, and are typically marked by an appreciable hydrogen density of states and van Hove singularities at the Fermi energy. Given the recent interest in nitrogen-doped lutetium hydride, the authors focused on finding the structures which would have electronic properties that could plausibly support high-temperature superconductivity within a narrow pressure range. They have identified a narrow range of stoichiometries Lu${}8$H${}_{23\ensuremath{-}x}$N with hydrogen-dominant conduction states, and found one structure which exhibits a very large hydrogen density of states with an extremely sharp van Hove singularity, whose properties may therefore change dramatically under pressure.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: High-pressure geophysics and materials · Rare-earth and actinide compounds · Hydrogen Storage and Materials

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

Affiliations

Department of Physics, University of Illinois Chicago, Chicago, Illinois 60607, USA

Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, USA

Department of Chemistry, University of Illinois Chicago, Chicago, Illinois 60607, USA

Department of Earth and Environmental Sciences, University of Illinois Chicago, Chicago, Illinois 60607, USA

Funding

National Science Foundation · National Nuclear Security Administration · National Energy Research Scientific Computing Center · Office of Science

References (62)

Show source-provided references
1. 10.1063/5.015184410.1063/5.0151844 ↗
2. 10.1103/PhysRevB.108.01451110.1103/PhysRevB.108.014511 ↗
3. 10.1038/s41467-023-41005-210.1038/s41467-023-41005-2 ↗
4. 10.1103/PhysRevB.108.L02010110.1103/PhysRevB.108.L020101 ↗
5. 10.1038/s41467-023-44326-410.1038/s41467-023-44326-4 ↗
6. 10.1103/PhysRevB.93.09452510.1103/PhysRevB.93.094525 ↗
7. 10.1103/PhysRevB.105.22451410.1103/PhysRevB.105.224514 ↗
8. 10.1103/PhysRevLett.21.174810.1103/PhysRevLett.21.1748 ↗
9. 10.1103/PhysRevLett.92.18700210.1103/PhysRevLett.92.187002 ↗
10. 10.1073/pnas.170450511410.1073/pnas.1704505114 ↗
11. 10.1103/PhysRevLett.119.10700110.1103/PhysRevLett.119.107001 ↗
12. 10.1103/PhysRevLett.122.02700110.1103/PhysRevLett.122.027001 ↗
13. 10.1038/s41586-019-1201-810.1038/s41586-019-1201-8 ↗
14. 10.1103/PhysRevLett.126.11700310.1103/PhysRevLett.126.117003 ↗
15. 10.1038/s41467-021-25372-210.1038/s41467-021-25372-2 ↗
16. 10.1002/adma.20200683210.1002/adma.202006832 ↗
17. 10.1063/5.007774810.1063/5.0077748 ↗
18. 10.1088/0256-307X/40/5/05740110.1088/0256-307X/40/5/057401 ↗
19. 10.1103/PhysRev.140.A113310.1103/PhysRev.140.A1133 ↗
20. 10.1088/0953-8984/21/39/39550210.1088/0953-8984/21/39/395502 ↗
21. 10.1088/1361-648X/aa8f7910.1088/1361-648X/aa8f79 ↗
22. 10.1063/1.494560810.1063/1.4945608 ↗
23. S. A. Tolba · 2018
24. 10.1088/0022-3719/8/9/02010.1088/0022-3719/8/9/020 ↗
25. 10.1016/j.cjph.2022.04.00710.1016/j.cjph.2022.04.007 ↗
26. 10.1021/acsomega.3c0020710.1021/acsomega.3c00207 ↗
27. 10.1016/j.commatsci.2014.07.03010.1016/j.commatsci.2014.07.030 ↗
28. 10.1103/PhysRevB.53.93210.1103/PhysRevB.53.932 ↗
29. 10.1007/s10948-012-1434-310.1007/s10948-012-1434-3 ↗
30. 10.1103/PhysRev.108.117510.1103/PhysRev.108.1175 ↗
31. 10.1016/j.mtphys.2020.10033010.1016/j.mtphys.2020.100330 ↗
32. 10.1103/PhysRevLett.114.15700410.1103/PhysRevLett.114.157004 ↗
33. 10.1103/PhysRevB.98.10010210.1103/PhysRevB.98.100102 ↗
34. 10.1038/s41586-020-1955-z10.1038/s41586-020-1955-z ↗
35. 10.1103/PhysRevB.106.05410610.1103/PhysRevB.106.054106 ↗
36. 10.1002/anie.19971808110.1002/anie.199718081 ↗
37. P. Fuentealba · 2007
38. 10.1038/s41467-021-25687-010.1038/s41467-021-25687-0 ↗
39. 10.1103/RevModPhys.84.141910.1103/RevModPhys.84.1419 ↗
40. 10.1016/j.cpc.2010.08.02710.1016/j.cpc.2010.08.027 ↗
41. 10.1038/ncomms994410.1038/ncomms9944 ↗
42. 10.1088/1361-6633/aa6ac710.1088/1361-6633/aa6ac7 ↗
43. 10.1134/S002136402360317210.1134/S0021364023603172 ↗
44. 10.1103/PhysRevB.88.04512510.1103/PhysRevB.88.045125 ↗
45. 10.1103/PhysRevLett.106.23680310.1103/PhysRevLett.106.236803 ↗
46. 10.1080/23746149.2018.147305210.1080/23746149.2018.1473052 ↗
47. 10.1038/s41467-020-17465-110.1038/s41467-020-17465-1 ↗
48. 10.1103/PhysRevLett.64.56310.1103/PhysRevLett.64.563 ↗
49. 10.1002/bbpc.1972076085410.1002/bbpc.19720760854 ↗
50. 10.1103/PhysRevB.86.01410710.1103/PhysRevB.86.014107 ↗
51. 10.1021/acs.jpcc.3c0445410.1021/acs.jpcc.3c04454 ↗
52. 10.1038/s41524-018-0127-210.1038/s41524-018-0127-2 ↗
53. 10.1016/j.commatsci.2014.07.04310.1016/j.commatsci.2014.07.043 ↗
54. 10.1016/j.commatsci.2012.10.02810.1016/j.commatsci.2012.10.028 ↗
55. 10.1103/PhysRevB.89.09451510.1103/PhysRevB.89.094515 ↗
56. 10.1107/S002188981103897010.1107/S0021889811038970 ↗
57. 10.1016/j.cpc.2017.09.03310.1016/j.cpc.2017.09.033 ↗
58. 10.1021/acs.jctc.0c0047110.1021/acs.jctc.0c00471 ↗
59. 10.1103/PhysRevB.84.12514210.1103/PhysRevB.84.125142 ↗
60. 10.1016/j.jallcom.2008.10.06410.1016/j.jallcom.2008.10.064 ↗
61. 10.1103/PhysRevB.108.L02010210.1103/PhysRevB.108.L020102 ↗
62. 10.1103/PhysRevB.37.206610.1103/PhysRevB.37.2066 ↗