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April 16, 2026Dalton Transactions2 citationsOpen Access

Systematic first-principles study of pressure-induced phase transitions and lattice properties in lanthanide monosulfides

SFS. FerrariEKErtuğrul KaracaDEDaniel Errandonea

Key Points

  • The study aims to investigate the effects of pressure on the structural and vibrational properties of lanthanide monosulfides.
  • Utilized ab-initio techniques based on density-functional theory
  • Analyzed structural, elastic, and vibrational properties
  • Focused on lanthanide monosulfides from La to Lu
  • Applied pressure to observe phase transitions
  • Identified distinct pressure-induced phase transitions in the lanthanide monosulfides
  • Found variations in elastic and vibrational properties with increasing pressure
  • Provided insights into how lattice structures evolve under external pressure

Abstract

We present a systematic ab-initio investigation of the structural, elastic, and vibrational properties of lanthanide monosulfides (LnS, Ln = La-Lu) under pressure using density-functional theory within the plane-wave pseudopotential framework...

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Cite This Study

Ferrari et al. (2026) studied this question.

synapsesocial.com/papers/69e07e3b2f7e8953b7cbf33fhttps://doi.org/10.1039/d6dt00593d
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