1. CHARGED POINT DEFECT IN RUTILE TIO2: FROM DEFECT CHARGE DISTRIBUTION TO DEFECT PHONON FREE ENERGY Open Access Author: Li, Xin Title: CHARGED POINT DEFECT IN RUTILE TIO2: FROM DEFECT CHARGE DISTRIBUTION TO DEFECT PHONON FREE ENERGY Graduate Program: Materials Science and Engineering Keywords: TiO2defect formation energyphonon free energythermodynamicsdefect phase diagram File: Download PhD_Dissertation.pdf Committee Members: Sarah Elizabeth Dickey, Dissertation Advisor/Co-AdvisorElizabeth C Dickey, Committee Chair/Co-ChairLong Qing Chen, Committee MemberClive A Randall, Committee MemberVincent Henry Crespi, Committee MemberSuzanne E Mohney, Committee Member
2. First-principles Thermodynamics of Phase Transition: from Metal to Oxide Open Access Author: Mei, Zhigang Title: First-principles Thermodynamics of Phase Transition: from Metal to Oxide Graduate Program: Materials Science and Engineering Keywords: First-principlesthermodynamicsphase transitionsTiTiO2BiFeO3 File: Download ZhigangMei_Dissertation.pdf Committee Members: Zi Kui Liu, Dissertation Advisor/Co-AdvisorLong Qing Chen, Committee MemberVincent Henry Crespi, Committee MemberClive A Randall, Committee Member
