Year

2026

Season

Summer

Paper Type

Master's Thesis

College

College of Arts and Sciences

Degree Name

Master of Science in Material Science & Engineering (MS)

Department

Physics

Committee Chairperson

Dr. Jason T. Haraldsen

Second Advisor

Dr. Paula Coehlo

Third Advisor

Dr. Eirin McBride (Sullivan)

Department Chair

Dr. John (Jack) H. Hewitt

College Dean

Kaveri Subrahmanyam

Abstract

Using first-principles methods, we investigate the effects of applied isotropic pressure on the electronic and magnetic properties of intercalated Fe1/3TaS2 and Co1/3TaS2. Fe1/3TaS2 has been shown to be a ferromagnet that undergoes structural and magnetic phase transitions under applied pressure. The magnetic phase transitions are observed to be linked to the structural shift, and a mixture of magnetic phase states is present between 3 GPa and 6 GPa. Co1/3TaS2 was found to be antiferromagnetic, as confirmed by experimental work. One- and two-unit-cell systems of Co1/3TaS2 are analyzed, both showing band splitting that disappears under pressure. The application of pressure forces the magnetic character of the system to vanish, correlating with observed d- orbital hybridization near the Fermi level. The presence of band splitting within the antiferromagnetic structure of Co1/3TaS2 and its disappearance at the phase transition pressure are characteristic signs of altermagnetism. Observations of the system’s chirality and possible chiral phonon modes further solidify the presence of altermagnetism, as symmetry conditions for chirality strongly support altermagnetic environments

Download

Share

COinS
 

Accessibility Statement

This item was created or digitized before April 24, 2027, or is a reproduction of legacy material created before that date. It is preserved in its original, unmodified state specifically for research, reference, or historical recordkeeping. In accordance with the ADA Title II Final Rule, the Library provides accessible versions of archival materials by request. If you are experiencing difficulty accessing the information on the site due to a disability, please submit a request through the following form for assistance.