Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Fermi surfaces and Phase Stability of Ba(Fe$_{1-x}$M$_x$)$_2$As$_2$
  (M=Co, Ni, Cu, Zn)   BaFe$_2$As$_2$ with transition-metal doping exhibits a variety of rich
phenomenon from coupling of structure, magnetism, and superconductivity. Using
density functional theory, we systematically compare the Fermi surfaces (FS),
formation energies ($\Delta E_f$), and density of states (DOS) of
electron-doped Ba(Fe$_{1-x}$M$_x$)$_2$As$_2$ with M={Co, Ni, Cu, Zn} in
tetragonal (I$4/mmm$) and orthorhombic (F$mmm$) structures in nonmagnetic (NM),
antiferromagnetic (AFM), and paramagnetic (PM, disordered local moment) states.
We explain changes to phase stability ($\Delta E_f$) and Fermi surfaces (and
nesting) due to chemical and magnetic disorder, and compare to
observed/assessed properties and contrast alloy theory with that expected from
rigid-band model. With alloying, the DOS changes from common-band (Co,Ni) to
split-band (Cu,Zn), which dictates $\Delta E_f$ and can overwhelm FS-nesting
instabilities, as for Cu,Zn cases.

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The categories of this paper are: acc-phys
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The categories of this paper are: ao-sci
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The categories of this paper are: q-bio
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The categories of this paper are: alg-geom
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The categories of this paper are: mtrl-th
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The categories of this paper are: chem-ph
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The categories of this paper are: math
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The categories of this paper are: hep-lat
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The categories of this paper are: nucl-th
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The categories of this paper are: nucl-ex
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The categories of this paper are: math-ph
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The categories of this paper are: q-alg
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The categories of this paper are: plasm-ph
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The categories of this paper are: funct-an
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The categories of this paper are: cmp-lg
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The categories of this paper are: stat