−signs for the B2 Magnetic Phase Diagram. Having established the nature and the magnitude of the NN effective spin cou- plings, we now turn to the magnetic phase diagram Table 2, we have to take into account explicitly the soefcβon-Ldi-2nIreOig3h. bInoradHdeiitsieonnbte...
The CLi molecule should be a hypervalent molecule, which had been theoretically predicted from ab initio molecular orbital calculation by Schleyer et al. The observed dissociation energy of CLi to form CLi , 274 ± 11 kJ/mol, agreed well with the theoretical value, 273 kJ/mol. The ...
For the B1 Rh-Rh links, the Rh-O-Rh bond angle is 93.4°, close to the value that defines the Scientific Reports | 5:14718 | DOI: 10.1038/srep14718 4 www.nature.com/scientificreports/ Figure 3. (a) Phase diagram for the effective model of Eq. (1) supplemented by 2nd- and 3rd...
which requires development of a nonflammable electrolyte with either a larger window between its lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO) or a constituent (or additive) that can develop rapidly a solid/ electrolyte-interface (SEI) layer to prevent platin...
I. Na2IrO3 as a Molecular Orbital Crystal. Phys. Rev. Lett. 109, 197201 (2012). Article CAS ADS Google Scholar Mazin, I. I. et al. Origin of the insulating state in honeycomb iridates and rhodates. Phys. Rev. B 88, 035115 (2013). Article ADS Google Scholar Gretarsson, H. ...