DFT Calculations on the Termination of 4H-SiC Non-Polar Surfaces during Photoelectrochemical Pore Formation

Ting Qiang Yang; Marco Perazzi; Christopher Zellner; Georg Pfusterschmied; Ulrich Schmid

doi:10.4028/p-M8r40M

Paper Titles

On the Characterization of 4H-SiC PiN Diodes and JFETs for their Use in High-Voltage Bidirectional Power Devices
p.21

The 3^rd Quadrant Operation of 4^th Generation SiC MOSFETs: Recovery Charge & Bipolar Degradation
p.29

Optimizing 1.2 kV SiC Trench MOSFETs for Enhanced Performance and Manufacturing Efficiency
p.37

Novel SiC MOSFET Edge-Termination Structure for Electric Field Relaxation Using an Oxide Film along the Trench Surface
p.45

SiC Schottky-Barrier Diode without Ion-Implanted P-Type Regions
p.53

Three Level Pulses to Investigate Gate Switching Instability
p.63

DFT Calculations on the Termination of 4H-SiC Non-Polar Surfaces during Photoelectrochemical Pore Formation
p.69

TCAD Model Parameter Calibration Strategy for 1200V SiC MOSFET
p.77

Lifetime Modeling of MOS Based SiC Vertical Power Devices under High Voltage Blocking Stress
p.83

HomeKey Engineering MaterialsKey Engineering Materials Vol. 1022DFT Calculations on the Termination of 4H-SiC...

DFT Calculations on the Termination of 4H-SiC Non-Polar Surfaces during Photoelectrochemical Pore Formation

Abstract:

In our previous work, single-crystalline porous 4H-SiC thin foils were successfully released from a monocrystalline 4H-SiC wafer by photoelectrochemical etching (PECE). This technology is promising for the next-generation power device fabrication processes (e.g. cost-efficient engineered substrates) and micro-electromechanical systems. The surface terminations of the pore walls will affect the behavior in the further fabrication process and application, thus motivating the need for detailed investigations. This work based on DFT calculations focuses on the surface terminations of five 4H-SiC non-polar surfaces, i.e. {10-10}, {11-20}, {21-30}, {31-40} and {32-50}, which can well represent the walls of the C-face etched pores penetrating through the released foil along the [0001] direction. The surface energies of the stoichiometric surfaces are found to be in the sequence of {11-20} < {32-50} < {21-30} < {10-10} < {31-40}. All these surfaces have high chemical affinity to H₂O and even more to HF. In particular, for the complete surface termination by HF, the relative stability of these crystal planes can be changed and depends on the HF chemical potential. For example, in the range of HF chemical potential from −4.10 to −1.70 eV, the 4H-SiC {10-10} becomes more stable than the {11-20}. This preliminary research provides insight into the surface chemistry of the 4H-SiC non-polar surfaces, especially the {21-30}, {31-40} and {32-50}, which have rarely been investigated.

By email View Pdf

You have full access to the following eBook

Characteristics Evaluation and Device Design

Read eBook

Info:

Periodical:

Key Engineering Materials (Volume 1022)

Pages:

69-76

DOI:

https://doi.org/10.4028/p-M8r40M

Citation:

Cite this paper

Online since:

September 2025

Authors:

Ting Qiang Yang*, Marco Perazzi, Christopher Zellner, Georg Pfusterschmied, Ulrich Schmid

Keywords:

DFT, PECE, Porous 4H-SiC, Surface Termination

Export:

RIS, BibTeX

Permissions:

Creative Commons CC BY 4.0

Citation:

* - Corresponding Author

References

[1] X. Yuan, I. Laird, S. Walder, Opportunities, challenges, and potential solutions in the application of fast-switching SiC power devices and converters, IEEE Trans. Power Electron. 36 (2021) 3925-3945.