Bonding, Backbonding, and Spin-Polarized Molecular Orbitals:Basis for Magnetism and Semiconducting Transport in V[TCNE]x~;;2
Journal Article
·
· Physical Review Letters
OSTI ID:929423
X-ray absorption spectroscopy (XAS) and magnetic circular dichroism (MCD) at the V L2,3 and C and N K edges reveal bonding/backbonding interactions in films of the 400 K magnetic semiconductor V[TCNE]x~;;2. In V spectra, dxy-like orbitals are modeled assuming V2+ in an octahedral ligand field, while dz2 and dx2-y2 orbitals involved in strong covalent bonding cannot be modeled by atomic calculations. C and N MCD, and differences in XAS from neutral TCNE molecules, reveal spin-polarized molecular orbitals in V[TCNE]x~;;2 associated with backbonding interactions that yield its novel properties.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- Advanced Light Source Division; Materials Sciences Division
- DOE Contract Number:
- DE-AC02-05CH11231
- OSTI ID:
- 929423
- Report Number(s):
- LBNL-297E; PRLTAO; TRN: US200814%%150
- Journal Information:
- Physical Review Letters, Journal Name: Physical Review Letters; ISSN 0031-9007
- Country of Publication:
- United States
- Language:
- English
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