The eg-orbital states with complex coefficients of the linear combination of x2 − y2 and 3z2 − r2 are studied for the ferromagnetic state in doped manganites. Especially the focus is put on the competition among uniform complex, staggered complex, and real orbital states. As the hole-doping x increases, the real, the canted complex, and the staggered complex orbital states appears successively....

Continuum effects in the weakly bound nuclei close to the drip-line are investigated using the analytically soluble Pöschl-Teller-Ginocchio potential. Pairing correlations are studied within the Hartree-Fock-Bogoliubov method. We show that both resonant and non-resonant continuum phase space is active in creating the pairing field. The influence of positive-energy phase space is quantified in t...

A u n i t a r y t rans format ion is appl ied to the E-e J a h n T e l l e r problem. T h e eigenfunctions of the diagonal par t of the t r a n s f o r m e d H a m i l t o n i a n are uti l ized for a R i t z diagonal izat ion procedure. R e s u l t s are g i v e n for basic sets of 1 2 , 20 and 42 funct ions and compared with the respect ive conventional ca lculat ions . I n the t r a n s f o ...

The recently synthesized and isolated lowcoordinate Fe nitride complex has numerous implications as a model for high-oxidation states in biological and industrial systems. The trigonal [PhB(BuIm)3Fe VN]+ (where (PhB(BuIm)3 − = phenyltris(3-tert-butylimidazol-2-ylidene)), (1) low-spin d (S = 1/2) coordination compound is subject to a Jahn−Teller (JT) distortion of its doubly degenerate E ground...

We present energy spectrum calculations of 5E term of Fe++ ion taking into account crystal field, spin-orbit interaction, uniaxial stress, magnetic field and dynamic Jahn-Teller effect. Basing on the obtained energy spectra we calculate magnetic properties (specific heat and magnetization) of Fe-based Semimagnetic Semiconductors. We found that presence of the JahnTeller effect has very small in...

The Jahn-Teller distortion in praseodymium dioxide PrO2 has been studied using density functional theory with the PBE+U functional for the exchange-correlation energy. Various possible distortions were suggested based on recent neutron diffraction experiments C. H. Gardiner et al., Phys. Rev. B 70, 024415 2004 . We could identify the most likely distorted structure with a magnitude of the disto...