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Materials like iron, nickel, and cobalt consist of magnetic domains, within which the magnetic dipoles are arranged parallel to each other. The magnetic dipoles are rigidly aligned in the same direction within a domain by quantum mechanical coupling among the atoms. This coupling is so strong that even thermal agitation at room temperature cannot break it. The result is that each domain has a net dipole moment. However, some materials have weaker coupling, and are ferromagnetic at lower...
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When an electric field passes from one homogeneous medium to another, crossing the boundary between the two mediums imparts a discontinuity in the electric field. This results in electrostatic boundary conditions that depend on the type of mediums the field propagates through.
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Ferroelectric Rashba topological phase in noncentrosymmetric CsSiBi.

Saurav Patel1, Prafulla K Jha1

  • 1Department of Physics, Faculty of Science, The Maharaja Sayajirao University of Baroda, Vadodara 390002, Gujarat, India.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|January 7, 2026
PubMed
Summary

We discovered CsSiBi as a composite quantum compound (CQC) exhibiting a topological insulating phase, Rashba spin-splitting, and ferroelectric switching. This material offers potential for next-generation spintronics and nanoelectronics.

Keywords:
Rashba effectferroelectric switchingfirst-principles calculationspolarizationtopological insulators

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Chemistry

Background:

  • Composite quantum compounds (CQCs) enable exploration of coupled physical phenomena.
  • Giant Rashba effect, ferroelectric switching, and non-trivial band topology are key material characteristics.
  • These properties offer novel functionalities and fundamental physics insights.

Purpose of the Study:

  • Investigate CsSiBi and CsPbSb as potential CQCs.
  • Analyze their stability and properties using first-principles calculations.
  • Identify materials with combined topological, Rashba, and ferroelectric characteristics.

Main Methods:

  • First-principles calculations using VASP and WIEN2k.
  • Symmetry analysis for electronic band structure.
  • Evaluation of chemical, mechanical, dynamical, and thermal stability.

Main Results:

  • CsSiBi identified as an intrinsic CQC with topological insulating phase, Rashba spin-splitting, and ferroelectric switching.
  • CsPbSb shows a very large Rashba effect.
  • Calculated giant isotropic Rashba effect (αR ≈ 2.46 eV Å) in CsSiBi.
  • Ferroelectricity validated by spin-texture reversal and double well energy profile in CsSiBi.

Conclusions:

  • CsSiBi is a promising multifunctional material for spintronics and nanoelectronics.
  • The study validates the reliability of full-potential codes for complex materials.
  • This work opens avenues for designing next-generation multifunctional materials.