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Pressure-Induced Volume Collapse and Metallization in Inverse Spinel Co2TiO4
Mrinmay Sahu1, Souvick Chakraborty2, Bidisha Mukherjee2
1Physical Sciences, Indian Institute of Science Education and Research Kolkata, Mohanpur 741246, India, Mohanpur, WB, 741246, INDIA.
Summary
High pressure transforms inverse spinel Co2TiO4 (CTO-Sp) through two distinct phase transitions, leading to significant volume reduction and pressure-induced metallization. These findings reveal CTO-Sp
Area of Science:
- Materials Science
- Condensed Matter Physics
- High-Pressure Physics
Background:
- Inverse spinel cobalt titanate (Co2TiO4) is a material with complex structural and electronic properties.
- Understanding its behavior under extreme conditions like high pressure is crucial for materials science applications.
Purpose of the Study:
- To systematically investigate the structural, vibrational, electronic, and magnetic properties of Co2TiO4 under high-pressure conditions.
- To identify and characterize the phase transitions occurring in Co2TiO4 at elevated pressures.
Main Methods:
- Utilized X-ray diffraction, Raman spectroscopy, and in situ optical microscopy to probe structural changes.
- Employed first-principles density functional theory (DFT) calculations for theoretical insights into electronic and magnetic properties.
Main Results:
- Identified two major structural phase transitions at approximately 7.3 GPa (cubic to tetragonal) and 17.3 GPa (tetragonal to orthorhombic).
- The second transition involves a significant volume reduction of ~17.5% and is a first-order phase transition.
- DFT calculations predicted a high-spin to low-spin transition, magnetic moment collapse, and pressure-induced metallization in the orthorhombic phase.
Conclusions:
- Co2TiO4 undergoes significant structural and electronic transformations under high pressure.
- The observed pressure-induced metallization in the orthorhombic phase is a key finding with potential implications for material design.
