Electrical Transport — A Route to Two-Dimensional Room-Temperature Organometallic Multiferroics: The Marriage of d-p Spin Coupling and Structural Inversion Symmetry Breaking

3 measurement groups · 20 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

HSE06 band-structure, projected DOS, carrier effective-mass and electron/hole doping calculations

Cr(1,2-oxazine)2 periodic monolayer/square-MOF model · Model

Valence and conduction bands near the Fermi level evaluated by HSE06; electron and hole doping concentration 0.5 e/h per unit cell used to mimic gate voltage.

Atmosphere: periodic computational model
Geometry: 2D periodic MOF model
Context: pristine model framework
Measurement source: article p3466 · Results and discussion · Figure 5; Figure S13; Table S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
gate-voltage mimic doping concentration	0.5 e/h per unit cell	—	—	Text Exact Reported	article p3466 · Results and discussion · Figure S13
HSE06 band gap	1.550 eV	—	—	SI Table Exact Reported	SI p12 · Table S3 · Table S3
spin splitting gap along CB channel Delta3Marked as a best value within this paper	1.280 eV	—	—	SI Table Exact Reported	SI p12 · Table S3 · Table S3
electron effective mass at CBM along aMarked as a best value within this paper	1.33 me	—	—	Text Exact Reported	article p3466 · Results and discussion
electron effective mass at CBM along bMarked as a best value within this paper	1.33 me	—	—	Text Exact Reported	article p3466 · Results and discussion
hole effective mass at VBM along a	4.50 me	—	—	Text Exact Reported	article p3466 · Results and discussion
spin splitting gap along VB channel Delta1	0.268 eV	—	—	SI Table Exact Reported	SI p12 · Table S3 · Table S3
predicted polarised current under sign-switched gate	100% polarized current with reversible spin polarization orientation	—	—	Text Qualitative	article p3466 · Results and discussion · Figure S13

HSE06 band-structure, projected DOS, carrier effective-mass and electron/hole doping calculations

Cr(1,2,3,4-trazine)2 periodic monolayer/square-MOF model · Model

Valence and conduction bands near the Fermi level evaluated by HSE06; electron and hole doping concentration 0.5 e/h per unit cell used to mimic gate voltage.

Atmosphere: periodic computational model
Geometry: 2D periodic MOF model
Context: pristine model framework
Measurement source: article p3466 · Results and discussion · Figure 5; Figure S13; Table S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
HSE06 band gapMarked as a best value within this paper	1.970 eV	—	—	SI Table Exact Reported	SI p12 · Table S3 · Table S3
spin splitting gap along CB channel Delta3	0.176 eV	—	—	SI Table Exact Reported	SI p12 · Table S3 · Table S3
electron effective mass at CBM along a	3.37 me	—	—	Text Exact Reported	article p3466 · Results and discussion
electron effective mass at CBM along b	2.26 me	—	—	Text Exact Reported	article p3466 · Results and discussion
hole effective mass at VBM along a	2.57 me	—	—	Text Exact Reported	article p3466 · Results and discussion
spin splitting gap along VB channel Delta1	1.480 eV	—	—	SI Table Exact Reported	SI p12 · Table S3 · Table S3

HSE06 band-structure, projected DOS, carrier effective-mass and electron/hole doping calculations

Cr(1,2,4-triazine)2 periodic monolayer/square-MOF model · Model

Valence and conduction bands near the Fermi level evaluated by HSE06; electron and hole doping concentration 0.5 e/h per unit cell used to mimic gate voltage.

Atmosphere: periodic computational model
Geometry: 2D periodic MOF model
Context: pristine model framework
Measurement source: article p3466 · Results and discussion · Figure 5; Figure S13; Table S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
HSE06 band gap	1.790 eV	—	—	SI Table Exact Reported	SI p12 · Table S3 · Table S3
spin splitting gap along CB channel Delta3	0.390 eV	—	—	SI Table Exact Reported	SI p12 · Table S3 · Table S3
electron effective mass at CBM along a	3.78 me	—	—	Text Exact Reported	article p3466 · Results and discussion
electron effective mass at CBM along b	3.13 me	—	—	Text Exact Reported	article p3466 · Results and discussion
hole effective mass at VBM along aMarked as a best value within this paper	1.96 me	—	—	Text Exact Reported	article p3466 · Results and discussion
spin splitting gap along VB channel Delta1Marked as a best value within this paper	1.635 eV	—	—	SI Table Exact Reported	SI p12 · Table S3 · Table S3