DFT

Aliases

• DFT

Related papers

1. Spin correlations in La₃Ni₂O₇ thin films
2. First-Principles Evidence for Strongly Correlated Superconductivity Driven by Structural Variations in La₃Ni₂O₇
3. Pairing mechanism and superconductivity in pressurized La₅Ni₃O₁₁
4. Unconventional Superconductivity in La₃Ni₂O₇ from the Perspective of Symmetry
5. Theoretical study on ambient pressure superconductivity in La₃Ni₂O₇ thin films : structural analysis, model construction, and robustness of s±-wave pairing
6. Structural stability, electronic structure, and magnetic properties of the single-layer trilayer La₃Ni₂O₇ polymorph
7. Unconventional superconductivity from lattice quantum disorder
8. Orbital dimerization-induced first-order structural phase transition: a case study in La₃Ni₂O₇
9. Pressure induced redistribution of oxygen hole states in La₄Ni₃O₁₀
10. Jahn-Teller distortion on strained La₃Ni₂O₇ thin films
11. Tunable superconductivity and spin density wave in La₃Ni₂O₇/LaAlO₃ thin films
12. Co-operating multiorbital and nonlocal correlations in bilayer nickelate
13. Superconductivity in Ruddlesden-Popper nickelates: a review of recent progress, focusing on thin films
14. Interlayer Five-Spin Polaron in Superconducting Bilayer Nickelates
15. Nearly perfect Fermi surface nesting in hole-doped La₃Ni₂O₇ enables bulk superconductivity without pressure or strain
16. Itinerant Nature of Spin-Density-Wave Order in Ruddlesden-Popper Nickelates
17. Electron Doping of La₃Ni₂O₇ Thin Films: Candidate Metal Dopants and Their Potential Impact on Superconductivity
18. Electron vs. hole doping in infinite-layer nickelates: electronic structure, magnetism and correlations
19. Squeezing dynamical singlets in bilayer nickelates
20. Dichotomous electronic system in a bilayer Ni¹⁺ nickelate
21. Interlayer pairing mechanism for bilayer nickelate superconductors
22. Electronic structure trends in La₂RNi₂O₇ (R= Pr, Nd, Sm) from first-principles
23. Tunable Superconductivity in 1313-La₃Ni₂O₇: Suppressed under Compression and Possible s^± Pairing under Tension
24. Delafossites as an unexpected competing phase to infinite-layer oxides
25. Density waves in low-pressure bilayer nickelates
26. Heterostructuring as Gateway to Electron Doping of Nickelate Superconductors
27. Emergent s+id Superconductivity from the Interplay between Electronic Correlations and Electron-Phonon Coupling in R_1-xSr_xNiO₂
28. Structural stability, electronic structure, and magnetism of the d⁹ double infinite-layer La₃Ni₂O₅F under chemical pressure and epitaxial strain
29. Electronically Inactive Intercalated La₂NiO₄ Layer in Superconducting La₅Ni₃O₁₁
30. Thermodynamic phase transition, pairing symmetry and Fermi surface topology in Ruddlesden-Popper nickelate films
31. Weak coupling theory of nickel-based 327 superconductors
32. Orbital-Selective Coexistence of Interlayer Spin-Singlet Formation and SDW Order with Anomalous Spin Reconfiguration in Bilayer Nickelate La₃Ni₂O₇ Revealed by ¹⁷O-NMR
33. Microscopic Origin of Pressure-Enhanced and Robust Superconductivity in Infinite-Layer La_0.8Sr_0.2NiO₂
34. Ni-O hybridization as a stabilizer for s^± superconductivity in La₃Ni₂O₇: a DFT+RPA study
35. Orbital character and photoemission signatures of the A-pocket in infinite-layer nickelates
36. Electronic structure and two-orbital model of the quadlayer La₅Ni₄O₁₃
37. Selective suppression of electronic orders via interlayer coupling in superconducting bilayer nickelate thin films
38. Direct imaging of the Ni e_g hole orbitals in the bilayer nickelate La₂SmNi₂O₇
39. Structural transition, electric transport, and electronic structures in the compressed trilayer nickelate La₄Ni₃O₁₀
40. Oxygen deficiency mechanism of La₃Ni₂O_7−δ under pressure
41. Pairing mechanism and superconductivity in pressurized La₅Ni₃O₁₁
42. Structure Responsible for the Superconducting State in La₃Ni₂O₇ at High-Pressure and Low-Temperature Conditions
43. Normal and Superconducting Properties of La₃Ni₂O₇
44. Electronic structure and magnetic correlations in the trilayer nickelate superconductor La₄Ni₃O₁₀ under pressure
45. Spin-density wave and superconductivity in La₄Ni₃O₁₀ under ambient pressure
46. Unconventional Crystal Structure of the High-Pressure Superconductor La₃Ni₂O₇