Date of Award
1987
Document Type
Dissertation
Degree Name
Doctor of Philosophy (PhD)
Department
Physics and Astronomy
First Advisor
Joseph Callaway
Abstract
The electronic band structure, magnetic moment, and density of states of bcc and fcc manganese are calculated as a function of the lattice constant, using the LCGO method, on the local density approximation. For bcc manganese, two magnetic phases were found: a low moment state (m $\simeq$ 1 $\mu\sb{\rm B}$) and a high moment state (m $\ge$ 2.4 $\mu\sb{\rm B}$). For a small range of lattice constants (a = 5.9 to 6.025 a.u.), two local minima of the energy can coexist, yielding two different values of the moment for the same lattice constant. For fcc manganese, two phases were found: a zero moment state for a less than about 7.25 a.u. and a high moment state (m $\ge$ 1.88 $\mu\sb{\rm B}$). Both phase transitions are described in detail in terms of the band structure.
Recommended Citation
Fuster, Gonzalo, "Magnetism in BCC and FCC Manganese." (1987). LSU Historical Dissertations and Theses. 4448.
https://repository.lsu.edu/gradschool_disstheses/4448
Pages
82
DOI
10.31390/gradschool_disstheses.4448