Influence of transition metal inclusion on the phase transformations and thermodynamics of Se80Te20 alloy

This study explores how incorporating transition metals (TMs) influences the phase transformation and thermal behaviour of Se₈₀Te₂₀-based alloys, formulated as Se 80-x Te 20 TM x (x = 0, 2; TM = Co, Fe, Cu, Ni). Thermal analyses were conducted using Differential Scanning Calorimetry (DSC) under controlled heating conditions to extract thermodynamic parameters such as specific heat ( Cₚ ), entropy (Δ S ), enthalpy (Δ H ), and Gibbs free energy (Δ G ). Including TMs alters the heat capacity response near the glass transition, indicating changes in configurational freedom and structural rigidity. A systematic correlation between Cₚ variation and heating rate was observed across all samples, revealing the dynamic thermophysical nature of these chalcogenide alloys. Thermodynamic signatures inferred from Cₚ – T curves and entropic analysis exhibit second-order-like characteristics in the sense of Ehrenfest's framework. These findings provide a detailed understanding of how transition metal doping tunes the thermal stability and glass-forming ability of Se Te systems. • Cobalt enhances thermal stability and raises crystallization enthalpy. • Nickel increases network rigidity, reducing vibrational entropy modes. • Copper lowers Tg, increases free volume and structural disorder. • Iron improves thermal uniformity and stabilizes amorphous network. • Transition metals modify Cp, ΔS, and ΔG significantly. • STNi exhibits minimal Cp/T 3 peak, confirming rigid structure. • STCu enhances atomic fluctuations with moderate thermodynamic stability. • Entropy and enthalpy trends correlate with dopant coordination. • DSC confirms altered glass transition dynamics by each dopant.

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Publication Details

Journal
Results in Chemistry
Published
2026-02-10
DOI
https://doi.org/10.1016/j.rechem.2026.103102
Primary Topic
Phase-change materials and chalcogenides
Type
article
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article

Influence of transition metal inclusion on the phase transformations and thermodynamics of Se80Te20 alloy

Cosmas M. Muiva, Ishu Sharma, Kaushal Kumar Sarswat, Neeraj Mehta et al.
Results in Chemistry
Phase-change materials and chalcogenides
article

Influence of transition metal inclusion on the phase transformations and thermodynamics of Se80Te20 alloy

Cosmas M. Muiva, Ishu Sharma, Kaushal Kumar Sarswat, Neeraj Mehta, Nisha Kumari
article en

Abstract

This study explores how incorporating transition metals (TMs) influences the phase transformation and thermal behaviour of Se₈₀Te₂₀-based alloys, formulated as Se 80-x Te 20 TM x (x = 0, 2; TM = Co, Fe, Cu, Ni). Thermal analyses were conducted using Differential Scanning Calorimetry (DSC) under controlled heating conditions to extract thermodynamic parameters such as specific heat ( Cₚ ), entropy (Δ S ), enthalpy (Δ H ), and Gibbs free energy (Δ G ). Including TMs alters the heat capacity response near the glass transition, indicating changes in configurational freedom and structural rigidity. A systematic correlation between Cₚ variation and heating rate was observed across all samples, revealing the dynamic thermophysical nature of these chalcogenide alloys. Thermodynamic signatures inferred from Cₚ – T curves and entropic analysis exhibit second-order-like characteristics in the sense of Ehrenfest's framework. These findings provide a detailed understanding of how transition metal doping tunes the thermal stability and glass-forming ability of Se Te systems. • Cobalt enhances thermal stability and raises crystallization enthalpy. • Nickel increases network rigidity, reducing vibrational entropy modes. • Copper lowers Tg, increases free volume and structural disorder. • Iron improves thermal uniformity and stabilizes amorphous network. • Transition metals modify Cp, ΔS, and ΔG significantly. • STNi exhibits minimal Cp/T 3 peak, confirming rigid structure. • STCu enhances atomic fluctuations with moderate thermodynamic stability. • Entropy and enthalpy trends correlate with dopant coordination. • DSC confirms altered glass transition dynamics by each dopant.

Results in ChemistryVol. 24
Botswana International University of Science and Technology (BW), Amity University (AE), Banaras Hindu University (IN)
Openalex Percentile: Top 62%
Phase-change materials and chalcogenides
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