We theoretically investigate the chiral topological excitons emerging in the monolayer transition metal dichalcogenides, where a bulk energy gap of valley excitons is opened up by a position dependent external magnetic field. We find two emerging chiral topological nontrivial excitons states, which exactly connects to the bulk topological properties, i.e., Chern number = 2. The dependence of th...

Conformational characteristics and configurational properties of poly(1-methylphosphirane) (PMePP) and poly(1-phenylphosphirane) (PPhPP) have been predictively elucidated by the refined rotational isomeric state scheme coupled with ab initio molecular orbital and density functional calculations. The lone pair of the phosphorus atom adopts an sp hybrid orbital. Owing to the high s character (50%...

Most late transition metal (LTM) monoxides crystallize in other than a rock salt structure, which is so common in the earlier transition metal monoxides. Here we present theoretical evidence based on density functional theory that an electron-phonon coupling involving a single soft mode in the cubic cell is responsible for the onset of the experimentally observed structures of the late transiti...

Homoleptic fluorinated alkoxide complexes have been prepared from KOC4F9, 1, via salt metathesis routes. One four-coordinate K{K(18C6)}[Co(OC4F9)4], 2, and four three-coordinate complexes: {K(18C6)}[Fe(OC4F9)3], 3, {K(18C6)}[Co(OC4F9)3], 4, {K(18C6)}[Cu(OC4F9)3], 5, and {K(18C6)}[Zn(OC4F9)3], 6, have been prepared and all except 5 have been characterized crystallographically. Compounds 3, 4, an...

3. Introduction 3815 4. Group 3 Organo-hydroxides 3816 5. Group 4 Organo-hydroxides 3821 5.1. Titanium 3822 5.2. Zirconium 3823 5.3. Hafnium 3824 6. Group 5 Organo-hydroxides 3825 6.1. Vanadium 3825 6.2. Niobium 3825 6.3. Tantalum 3826 7. Group 6 Organo-hydroxides 3826 7.1. Chromium 3826 7.2. Molybdenum 3826 7.3. Tungsten 3829 8. Group 7 Organo-hydroxides 3830 8.1. Manganese 3830 8.2. Techneciu...

in this article, in order to demonstrate the pragmatic elements of rawls’s viewpoint, the developmental path of his a theory of justice shall first be investigated. this development has two phases: in the first phase, justice has an ethical-philosophical basis. in a theory of justice, this phase is specifically shown under the title of theory of justice. in the second phase, justice has no phil...

Trimethylsilylphosphaalkyne binds readily to a variety of transition metals. Binding can take place using either the end-on or side-on mode and to either mononuclear or multinuclear metal complexes. The synthesis, structure and characterisation of eight such complexes, [Cp(2)Zr(PMe(3))(Me(3)SiC≡P)], [(C(6)F(5))(2)FB(C(6)F(4))PCSiMe(3))ZrCp(2)(PMe(3))], [(C(6)F(5))(2)XB(C(6)F(4))(ZrCp(2))(2)P(2)...

We review the recent progress in the theory of electron correlations in transition metals. Both qualitative picture and the quantitative results obtained for the magnetic moments, exchange splittings, Stoner parameter and magnetovolume effect of Fe, Co and Ni are presented and discussed in detail.