journal article·2025-07

The structural, electronic, magnetic and optical properties of the binary Heusler alloy CaF3

Ting Song, Shuai-Jun Liu, Shuang-Gang Xu, Hao Wu, Jun-Hong Tian, Xiao-Wei Sun

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OpenAlex topics: Heusler alloys: electronic and magnetic properties · 2D Materials and Applications · Chalcogenide Semiconductor Thin Films

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References (48)

Show source-provided references
1. Structural and optoelectronic properties of NiTiX and CoVX (X= Sb and Sn) half-Heusler compounds: An ab initio study10.1016/j.ijleo.2011.12.052 ↗
2. Electronic structure and Slater–Pauling behaviour in half-metallic Heusler alloys calculated from first principles10.1088/0022-3727/39/5/S01 ↗
3. Electronic and magnetic properties of Co2CrGa1−xSix Heusler alloys10.1007/s10948-016-3770-1 ↗
4. CrO2 predicted as a half-metallic ferromagnet10.1088/0305-4608/16/9/002 ↗
5. Determination of the spin polarization of half-metallic CrO2 by point contact Andreev reflection10.1103/PhysRevLett.86.5585 ↗
6. Evidence for the half-metallic ferromagnetic state of Fe3O4 by spin-resolved photoelectron spectroscopy10.1103/PhysRevB.65.064417 ↗
7. Direct evidence for a half-metallic ferromagnet10.1038/33883 ↗
8. Intergrain tunneling magnetoresistance in polycrystals of the ordered double perovskite Sr2FeReO610.1103/PhysRevB.59.11159 ↗
9. First principles study on d0 half-metallic properties of full-Heusler compounds RbCaX2 (X= C, N, and O)10.1088/1674-1056/24/6/067102 ↗
10. Large half-metallic gaps in the quaternary Heusler alloys CoFeCrZ (Z= Al, Si, Ga, Ge): a first-principles study10.1016/j.jallcom.2012.11.077 ↗
11. First-principles study of the structural, electronic and optical properties of MgF210.1016/j.ijleo.2018.03.010 ↗
12. MgF2 as a non-conventional catalyst support10.1016/S0022-1139(02)00286-5 ↗
13. Luminescence of the tungsten-activated MgF2 ceramics synthesized under the electron beam10.1016/j.nimb.2017.11.012 ↗
14. X-ray photoelectron spectroscopy study of water adsorption on BaF2 (111) and CaF2 (111) surfaces10.1021/la00017a027 ↗
15. Sites structure and spectroscopic properties of Yb-doped and Yb, Na-codoped CaF2 laser crystals10.1016/j.cplett.2005.02.122 ↗
16. Upconversion luminescence of monodisperse CaF2: Yb3+/Er3+ nanocrystals10.1021/ja906732y ↗
17. Antibacterial properties of calcium fluoride-based composite materials: in vitro study
18. Preparation and performance of Cr3+/MgF2 catalyst for synthesis of difluoromethane
19. Preparation and application of porous calcium fluoride—a novel fluorinating reagent and support of catalyst10.1016/S0022-1139(02)00073-8 ↗
20. Conductivity of composite calcium fluoride–silica solid electrolytes10.1016/S0272-8842(98)00076-5 ↗
21. Anionic conductivity and thermal stability of single crystals of solid solutions based on barium fluoride10.1016/S0167-2738(97)00190-2 ↗
22. The effect of 1D magneto-photonic crystal defect mode on Faraday rotation10.1016/j.ijleo.2015.07.194 ↗
23. Short-term evaluation of water sorption of glass ionomer cements10.37506/ijfmt.v15i2.14940 ↗
24. Light-conversion phosphor nanoarchitectonics for improved light harvesting in sensitized solar cells10.1016/j.jphotochemrev.2021.100404 ↗
25. High-pressure phases of group-II difluorides: Polymorphism and superionicity10.1103/PhysRevB.95.054118 ↗
26. The structural, electronic, magnetic and mechanical properties of d0 binary Heusler alloys XF3 (X= Be, Mg, Ca, Sr, Ba)10.1016/j.jpcs.2019.109246 ↗
27. Feature‐rich structural, electronic, magnetic and optical properties of the fluorine‐and nitrogen‐incorporated CaF2 compound10.1002/qua.26672 ↗
28. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
29. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
30. Hybrid functionals based on a screened Coulomb potential10.1063/1.1564060 ↗
31. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
32. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
33. Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory10.1103/PhysRevB.55.10355 ↗
34. Symmetry-general least-squares extraction of elastic coefficients from ab initio total energy calculations10.1103/PhysRevB.63.174103 ↗
35. First principles phonon calculations in materials science10.1016/j.scriptamat.2015.07.021 ↗
36. Unraveling the connection of electronic and phononic structure with mechanical properties of commercial AZ80 alloy10.1016/j.matlet.2024.136501 ↗
37. Engineering phonon transport through cation disorder in dimensionally constricted high entropy MXene10.1016/j.carbon.2024.119015 ↗
38. Crystal structures and elastic properties of superhard IrN2 and IrN3 from first principles
39. The elastic behaviour of a crystalline aggregate10.1088/0370-1298/65/5/307 ↗
40. Linear optical properties in the projector-augmented wave methodology10.1103/PhysRevB.73.045112 ↗
41. Dielectric function of CaF2 between 10 and 35 eV10.1103/PhysRevB.41.3291 ↗
42. Synthesis and characterization of CaF2 nanocrystals10.1016/j.jallcom.2009.09.118 ↗
43. First-principles study of structural stabilities, and electronic and optical properties of CaF2 under high pressure10.1103/PhysRevB.73.134103 ↗
44. Structural, thermodynamic and optical properties of MgF2 studied from first-principles theory10.1016/j.jssc.2010.11.025 ↗
45. First-principles calculations of optical properties of 2D CaFBr and BaFBr monolayers10.1016/j.physe.2021.115074 ↗
46. First-principles study on the electronic structures and optical properties of Cs2XInCl6 (X= Ag, Na)10.1016/j.ssc.2022.114812 ↗
47. First principle study of MF2 (M= Mg, Ca, Sr, Ba, Ra) compounds10.1016/j.commatsci.2013.09.010 ↗
48. First-principles calculations of the structural, electronic, and optical properties of LiF up to 300 GPa10.1016/j.physb.2011.06.066 ↗