Tunable anomalous Hall and Nernst effects in MM'X compounds

Area of Science:

• Condensed Matter Physics
• Materials Science
• Solid State Physics

Background:

• The anomalous Hall conductivity (AHC) and anomalous Nernst conductivities (ANCs) are crucial for spintronic and thermoelectric devices.
• Tailoring these properties requires understanding their dependence on electronic structure and magnetic ordering.

Purpose of the Study:

• To evaluate the AHC and ANCs of XMnP (X = Ti, Zr, Hf) compounds using first-principles calculations.
• To investigate the tunability of these transport properties by altering magnetization directions.
• To explore the potential of these materials for transverse thermoelectric applications.

Main Methods:

• First-principles calculations based on density functional theory (DFT).
• Analysis of band structure modifications across the Brillouin zone.
• Evaluation of AHC and ANC for various magnetic configurations.

Main Results:

• Significant changes in calculated AHC and ANC were observed for different magnetization directions in XMnP compounds.
• These variations are attributed to substantial alterations in the electronic band structure throughout the Brillouin zone.
• The compounds exhibit potential for engineering tunable transverse thermoelectric properties.

Conclusions:

• XMnP compounds offer a promising platform for developing materials with tunable transverse thermoelectric properties.
• Controlling magnetization direction is an effective strategy for engineering AHC and ANC.
• This research provides insights for designing advanced magnetic intermetallic compounds for thermoelectric applications.