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Probing absolute values of spin polarization at the nanoscale offers insight into the fundamental mechanisms of spin-dependent transport. Employing the Zeeman splitting in superconducting tips (Meservey-Tedrow-Fulde effect), we introduce a novel spin-polar ...
Following the computational strategy proposed by Mulliken in 1939 (J. Chem. Phys. 7 (5), 339-352 (1939)) when the concept of hyperconjugation was coined, we evaluated the hyperconjugative stabilization energy in 1,1,1-trihaloethane using the block-localize ...
We study the possibility of controlling the propagation of ballistic electrons using an electronic metamaterial with zero quantum index of refraction. This is obtained by tailoring the band structure of a semiconductor superlattice to exhibit a Dirac cone ...
The physical chemistry of bio molecules in the gas phase is progressing at a rapid pace. One of the most promising areas is the determination of the conformations of biologically important molecules. Quantitative determination of their relative energies is ...
We present a first-principles approach for inelastic quantum transport calculations based on maximally localized Wannier functions. Electronic-structure properties are obtained from density-functional theory in a plane-wave basis, and electron-vibration co ...
Graphene is theoretically expected to be a highly suitable material for spintronic and quantum computation applications. Current experimental reports assign surprisingly low spin lifetimes to graphene and related carbon structures. Recently, we showed a so ...
We observe the electron spin resonance of conduction electrons in boron-doped (6400 ppm) superconducting diamond (T-c = 3.8 K). We clearly identify the benchmarks of conduction electron spin resonance (CESR): the nearly temperature independent electron spi ...
In this feature article, we review and examine evidence that the primary photoexcited species in conjugated polymers is considerably delocalized. Localization occurs via a series of complex relaxation mechanisms on the
This thesis addresses advances in the field of computational Nuclear Magnetic Resonance (NMR) with two specific objectives: 1) developing an approach enabling the direct probing of intramolecular electronic effects on molecular properties; 2) assessing and ...
A method suitable for preparing a specimen for inspection, the method comprising the steps of: irradiating a photocathode so that the photocathode emits electrons from a surface of the photocathode, wherein the emitted electrons each follow a trajectory, a ...
