Robust High Mobility Half-Metallic Interface State in CrI₃/WTe₂ Based Heterostructures

Area of Science:

• Condensed Matter Physics
• Materials Science
• Quantum Engineering

Background:

• Van der Waals (vdW) heterostructures offer tunable electronic properties.
• Half-metallic materials are crucial for spintronic applications.
• Tungsten ditelluride (WTe₂) and Chromium triiodide (CrI₃) are promising 2D materials.

Purpose of the Study:

• To investigate the electronic and transport properties of CrI₃/2H-WTe₂ vdW heterostructures.
• To explore the potential of this heterostructure for spintronic and spin-caloritronic devices.
• To model charge and spin transport under varying magnetic and thermal conditions.

Main Methods:

• Density Functional Theory (DFT) calculations.
• Non-equilibrium Green's Function (NEGF) simulations.
• Device modeling with CrO₂ electrodes.

Main Results:

• A robust half-metallic interface state with 100% spin polarization was identified.
• Extraordinary magnetoresistance (MR) exceeding 1 × 10⁹% was observed.
• Nearly perfect spin filtration efficiency was demonstrated at low temperatures.
• High thermal magnetoresistance (MR) was achieved, suitable for spin caloritronics.

Conclusions:

• The CrI₃/2H-WTe₂ heterostructure exhibits exceptional spin filtering and MR properties.
• This system is a promising candidate for next-generation data storage and spintronic devices.
• The findings highlight the potential for thermally controlled spintronic and spin-caloritronic applications.