npsm 새물리 New Physics : Sae Mulli

pISSN 0374-4914 eISSN 2289-0041


Research Paper

New Phys.: Sae Mulli 2020; 70: 630-636

Published online August 31, 2020

Copyright © New Physics: Sae Mulli.

Calculation of the Stacking Fault Energy by Using the Anisotropic Next-Nearest Neighbor Ising Model

Byeong-Hyeon JEONG, Ji-Sang PARK*

Department of Physics, Kyungpook National University, Daegu, 41566, Korea

Received: June 4, 2020; Revised: June 24, 2020; Accepted: June 25, 2020


A stacking fault is a type of extended defect formed in a material. It is known to prohibit the transport of charges in semiconductor materials and promote the recombination of charges; therefore, the performance of electronic devices can be suppressed. For investigating of the stability of stacking faults, first-principles calculations are widely performed, which can be also described using an anisotropic next-nearest-neighbor Ising model (ANNNI) and can be constructed using the total energy of polytypes obtained from the first-principles calculations. In this study, we constructed the ANNNI model for diamond Si and zinc-blende CdTe, ZnS, and GaAs. Our models consider the interactions between two and three layers, resulting in a lower error than the models using only two-layer interactions. The predicted stacking fault energy was similar to that from the first-principles calculations, indicating that the stacking fault energy can be obtained using the ANNNI model.

Keywords: Stacking fault, Extended defect, Ising model, Semiconductor

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