The new sulfido antimonates(III) (Rb/Cs)3SbS3 were prepared from the alkali metal sulfides Rb2S/Cs2S2 and elemental antimony and sulfur or Sb2S3 at reaction temperatures of about 700 ◦C. The known isotypic potassium compound was similarily synthesized from the elements. The structures of the light-yellow crystals were refined using single-crystal X-ray data. Both compounds are isotypic to the r...

Accurate ab initio full-potential augmented plane wave (FP-LAPW) electronic calculations within generalized gradient approximation have been performed for Mn doped ZnSnAs2 chalcopyrites, focusing on their electronic and magnetic properties as a function of the geometry related to low Mn-impurity concentration and the spin magnetic alignment (i.e., ferromagnetic vs antiferromagnetic). As expecte...

Submitted for the MAR08 Meeting of The American Physical Society Effective model parameters for the spin-Peierls system TiOCl from first principles YUZHONG ZHANG, ROSER VALENTI, HARALD JESCHKE, Johann Wolfgang Goethe-Universität, Institut für Theoretische Physik — The inorganic spin-Peierls system TiOCl is studied in the frame of Density Functional Theory (DFT) by the projector augmented wave (...

OBJECTIVES Aging increases atrial fibrillation (AF) vulnerability. The left atrium (LA) is important for the generation of AF. However, the effect of aging on the electrophysiological properties of the LA in general, on the specific LA sites, and of possible accentuation of regional differences between the LA sites with aging is not clear. The purpose of this study was to evaluate the effects o...

We have investigated the group 14 nitrides (M3N4) in the spinel phase (γ-M3N4 with M = C, Si, Ge, and Sn) and β phase (β-M3N4 with M = Si, Ge, and Sn) using density functional theory with the local density approximation and the GW approximation. The Kohn-Sham energies of these systems have been first calculated within the framework of full-potential linearized augmented plane waves (LAPW) and t...

The notion of smooth biproximity space  where $delta_1,delta_2$ are gradation proximities defined by Ghanim et al. [10]. In this paper, we show every smooth biproximity space $(X,delta_1,delta_2)$ induces a supra smooth proximity space $delta_{12}$ finer than $delta_1$ and $delta_2$. We study the relationship between $(X,delta_{12})$ and the $FP^*$-separation axioms which had been introduced by...