**Electronic and magnetic properties of U-(Mo, W, V)-(Si,
Ge) compounds crystallizing with U _{2}Mo_{3}Si_{4}-type
structure**

*Chem.
Met. Alloys* 3
(2010) 115-119

Compounds in the U–(Mo, W, V)–(Si, Ge) systems crystallize in
the monoclinic U_{2}Mo_{3}Si_{4}-type structure with interatomic distances between uranium atoms below and around
the Hill limit. One of them, U_{2}V_{3}Ge_{4}, is
ferromagnetic in spite of expected strong hybridization effects leading to
nonmagnetic behavior. The band structure has been calculated using
the local (spin) density approximation (L(S)DA)
including generalized
gradient corrections (GGA). In the spin polarized
calculations also orbital polarization (OP) corrections were taken into
consideration. *Ab** initio*
calculations were performed based on the full-potential local-orbital
minimum-basis code FPLO. Total energy calculations
for U_{2}V_{3}Ge_{4}
showed that the magnetically ordered state is more stable than the nonmagnetic
one. The calculated magnetic moment on the uranium atoms within the LSDA+GGA+OP approach gave a value equal to
1.2 μ_{B}/atom.

DOS plots (total and site projected) for U_{2}*T*_{3}*M*_{4} compounds calculated without spin polarization within
the LDA+GGA approach.

**Keywords**

Ab-initio
calculations / Electronic band structure / Magnetic moments