Paper Type

Master's Thesis


College of Arts and Sciences

Degree Name

Master of Science (MS)



NACO controlled Corporate Body

University of North Florida. Department of Physics

First Advisor

Dr. Jason T. Haraldsen

Second Advisor

Dr. Michael Lufaso

Third Advisor

Dr. Steven Stagon

Fourth Advisor

Dr. Roxanne Tutchton

Fifth Advisor

Dr. Christopher Lane

Department Chair

Dr. Gregory Wurtz


2D magnetic semiconductors have become of interest due to their magneto-optical effects in lower dimensionality. More specifically, CrPS4 has gained renewed attention due to its A-type AFM order and air stability prompting analysis and stability studies in its layered forms for use in scalable technology such as spintronic and optoelectronic devices. In this study, we benchmark our approach using the SCAN meta-GGA functional used without U-parameterization on bulk CrPS4 to demonstrate the accuracy of our methodology to use as tools to go beyond current CrPS4 theoretical studies. We examine the 2D electronic nature and optical spectrum for use in experimental analysis. We demonstrate the growth and characterization process of bulk CrPS4 through means of chemical vapor transport and scanning electron microscopy, exhibiting the efficiency of this material for applied cases. We then theoretically model the electronic systems of MnPS4 and FePS4 by doping CrPS4 with Mn and Fe separately to report the changes in state and band gap due to the added valence electrons an effort to add to the transition-metal thiophosphate family as 2D magnetic materials.