Optimizing Density Functional Theory for Strain-Dependent Magnetic Properties of MnBi\(_2\)Te\(_4\) with Diffusion Monte Carlo

In this study, we evaluate the predictive power of density functional theory (DFT) for the magnetic properties of MnBi\(_2\)Te\(_4\) (MBT), an intrinsically magnetic topological insulator with potential applications in spintronics and quantum computing. Our theoretical understanding of MBT has been...

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Veröffentlicht in:	arXiv.org 2024-08
Hauptverfasser:	Ghosh, Swarnava, Jeonghwan Ann, Kang, Seoung-Hun, Jeong, Dameul, Eisenbach, Markus, Young-Kyun Kwon, Reboredo, Fernando A, Krogel, Jaron T, Yoon, Mina
Format:	Artikel
Sprache:	eng
Schlagworte:	Density functional theory Magnetic properties Mathematical analysis Phase diagrams Quantum computing Spintronics Stochastic processes Topological insulators
Online-Zugang:	Volltext
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