journal article·2025-03

Discovery of shallow n-type scheme for boron-nitrogen co-doped diamond based on DFT calculations

Xiang Sun, Dongliang Zhang, Gai Wu, Qijun Wang, Chunmin Cheng, Sheng Liu

Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

References (44)

Show source-provided references
1. Diamond as an electronic material10.1016/S1369-7021(07)70349-8 ↗
2. Surface transfer doping of diamond: a review10.1016/j.progsurf.2021.100613 ↗
3. Charge transport in high mobility single crystal diamond10.1016/j.diamond.2008.03.015 ↗
4. RF power performance evaluation of surface channel diamond MESFETs10.1016/j.sse.2010.09.001 ↗
5. DFT calculations and experiments of oxidation resistance research on B, N, and Si multi-doped diamond films10.1016/j.apsusc.2022.155865 ↗
6. The influence of nitrogen and boron doping on the surface morphology, defects and crystallinity of large-area chemical vapor deposition grown single crystal diamond10.1016/j.ijrmhm.2024.106559 ↗
7. Electrical conductivity enhancement by boron-doping in diamond using first principle calculations10.1016/j.apsusc.2014.07.157 ↗
8. Charge transport in heavily B-doped polycrystalline diamond films10.1063/1.111088 ↗
9. Electronic and optical properties of boron-doped nanocrystalline diamond films10.1103/PhysRevB.79.045206 ↗
10. High-quality B-doped homoepitaxial diamond films using trimethylboron10.1143/JJAP.37.L1129 ↗
11. N-type control of single-crystal diamond films by ultra-lightly phosphorus doping10.1063/1.4964382 ↗
12. Nitrogen modulation of boron doping behavior for accessible n-type diamond10.1063/5.0049151 ↗
13. Phosphorus-doped chemical vapor deposition of diamond10.1016/S0925-9635(00)00217-X ↗
14. Lightly phosphorus-doped homoepitaxial diamond films grown by chemical vapor deposition10.1063/1.1840119 ↗
15. Research of n-type arsenic doped diamond: theoretical analysis of electronic and mechanical properties10.1016/j.diamond.2020.107924 ↗
16. Arsenic-doped n-type diamond grown by microwave-assisted plasma chemical vapor deposition10.1143/JJAP.49.110209 ↗
17. Electronic structure and n-type doping in diamond from first principles10.1557/adv.2016.87 ↗
18. N-type BS co-doping and S doping in diamond from first principles10.1016/j.carbon.2018.01.028 ↗
19. Theoretical study of Li and Na as n-type dopants for diamond10.1103/PhysRevB.75.075202 ↗
20. Li and Na in diamond: a comparison of DFT models10.1016/j.physb.2007.08.113 ↗
21. Clustering of hydrogen, phosphorus, and vacancies in diamond: a density functional theory analysis10.1103/PhysRevB.98.075208 ↗
22. The boron-phosphorous co-doping scheme for possible n-type diamond from first principles10.1016/j.commatsci.2023.112113 ↗
23. First-principles calculation to N-type LiN Co-doping and Li doping in diamond10.1016/j.diamond.2020.108070 ↗
24. Hunting the elusive shallow n-type donor–an ab initio study of Li and N co-doped diamond10.1016/j.carbon.2020.09.065 ↗
25. Donor levels for selected n-type dopants in diamond: a computational study of the effect of supercell size10.1103/PhysRevB.74.245217 ↗
26. Electronic structure and magneto-optical properties of silicon-nitrogen-vacancy complexes in diamond10.1103/PhysRevB.102.115102 ↗
27. The growth mechanism of B/N co-doped diamonds under high pressure and high temperature10.1016/j.ijrmhm.2014.07.033 ↗
28. Wang, n-type BN co-doping and N doping in diamond from first principles
29. Thermal transport characteristics of diamond under stress10.1016/j.diamond.2023.110016 ↗
30. Lattice parameters and thermal expansion of superconducting boron-doped diamonds10.1103/PhysRevB.74.140502 ↗
31. Finite-size supercell correction schemes for charged defect calculations10.1103/PhysRevB.86.045112 ↗
32. First-principles calculations for point defects in solids10.1103/RevModPhys.86.253 ↗
33. Electronic structure of substitutionally doped diamond: spin-polarized, hybrid density functional theory analysis10.1016/j.diamond.2017.03.009 ↗
34. First principle study of the attachment of graphene onto non-doped and doped diamond (111)10.1016/j.diamond.2016.03.017 ↗
35. First-principles predictions of thermal conductivity of bulk diamond under isotropic and uniaxial (100) strains
36. Dangling bond-induced graphitization process on the (111) surface of diamond nanoparticles
37. Nitrogen and potential n-type dopants in diamond10.1103/PhysRevLett.66.2010 ↗
38. First-principles calculations for defects and impurities: applications to III-nitrides10.1063/1.1682673 ↗
39. Electronic structures of B 2 p and C 2 p levels in boron-doped diamond films studied using soft x-ray absorption and emission spectroscopy10.1103/PhysRevB.70.245111 ↗
40. Superconductivity in diamond10.1038/nature02449 ↗
41. Electrical characterization of phosphorus-doped n-type homoepitaxial diamond layers10.1016/j.diamond.2004.06.022 ↗
42. Phosphorus-related complexes and shallow doping in diamond10.1002/pssr.201700409 ↗
43. Carrier transport in homoepitaxial diamond films with heavy phosphorus doping, JPN10.7567/JJAP.53.05FP05 ↗
44. Ion-implanted n-type diamond: electrical evidence10.1016/0925-9635(94)05261-1 ↗