@article{wang_zou_araki_luening_kilcoyne_sokolov_ade_rafailovich_2010, title={Probing the Chain and Crystal Lattice Orientation in Polyethylene Thin Films by Near Edge X-ray Absorption Fine Structure (NEXAFS) Spectroscopy}, volume={43}, ISSN={["1520-5835"]}, DOI={10.1021/ma101213h}, abstractNote={The chain and the crystal unit cell orientation of linear low density polyethylene (LLDPE) were measured with near edge X-ray absorption fine structure (NEXAFS) spectroscopy. A strongly attractive substrate, silicon, and a weakly attractive substrate, mica, were used. For a 100 nm thick LLDPE film on the silicon substrate, the crystals exhibit an edge-on lamellar morphology, with the chains predominantly parallel to the substrate, and the orthorhombic unit cell ⟨a, b, c⟩ in the following approximate orientation: b and c are in the film plane with b along the crystal fibril direction and c perpendicular to the fibril direction and a perpendicular to the film plane. On the mica substrates, LLDPE films with thickness below 180 nm completely dewet the surface and form isolated droplets, while a film 366 nm thick crystallizes as spherulites with most of the chains perpendicular to the substrate before annealing and with a twisted lamellar structure after isothermal crystallization at 60 °C. The results demonst...}, number={19}, journal={MACROMOLECULES}, author={Wang, Yantian and Zou, Ying and Araki, Tohru and Luening, Jan and Kilcoyne, A. L. D. and Sokolov, Jonathan and Ade, Harald and Rafailovich, Miriam}, year={2010}, month={Oct}, pages={8153–8161} }
 @article{zou_araki_appel_kilcoyne_ade_2006, title={Solid state effects in the NEXAFS spectra of alkane-based van der Waals crystals: Breakdown of molecular model}, volume={430}, ISSN={["1873-4448"]}, DOI={10.1016/j.cplett.2006.08.110}, abstractNote={Experimental data conclusively shows that the weak van der Waals interactions between alkane molecules, <1.5% the strength of covalent bonding on a per carbon atom basis, modify the carbon 1s near edge X-ray absorption fine structure (NEXAFS) spectrum significantly in ordered solids, both in intensity, spectral shape, peak position, and dichroic signature. This constitutes a further breakdown of the ‘building block’ model, or, more precisely, even a molecular model in interpreting NEXAFS spectra. These observations have significant implications for the interpretation and use of NEXAFS spectra from any crystalline or semi-crystalline macromolecules, small molecules, or other weakly interacting systems.}, number={4-6}, journal={CHEMICAL PHYSICS LETTERS}, author={Zou, Y. and Araki, T. and Appel, G. and Kilcoyne, A. L. D. and Ade, H.}, year={2006}, month={Oct}, pages={287–292} }
 @article{wang_rafailovich_sokolov_gersappe_araki_zou_kilcoyne_ade_marom_lustiger_2006, title={Substrate effect on the melting temperature of thin polyethylene films}, volume={96}, ISSN={["1079-7114"]}, DOI={10.1103/physrevlett.96.028303}, abstractNote={Strong dependence of the crystal orientation, morphology, and melting temperature (Tm) on the substrate is observed in the semicrystalline polyethylene thin films. The Tm decreases with the film thickness decrease when the film is thinner than a certain critical thickness, and the magnitude of the depression increases with increasing surface interaction. We attribute the large Tm depression to the decrease in the overall free energy on melting, which is caused by the substrate attraction force to the chains that competes against the interchain force which drives the chains to crystallization.}, number={2}, journal={PHYSICAL REVIEW LETTERS}, author={Wang, Y and Rafailovich, M and Sokolov, J and Gersappe, D and Araki, T and Zou, Y and Kilcoyne, ADL and Ade, H and Marom, G and Lustiger, A}, year={2006}, month={Jan} }
 @article{lucovsky_fulton_zhang_zou_luning_edge_whitten_nemanich_ade_schlom_et al._2005, title={Conduction band-edge states associated with the removal of d-state degeneracies by the Jahn-Teller effect}, volume={5}, ISSN={["1558-2574"]}, DOI={10.1109/TDMR.2005.845804}, abstractNote={X-ray absorption spectroscopy (XAS) is used to study band edge electronic structure of high-/spl kappa/ transition metal (TM) and trivalent lanthanide rare earth (RE) oxide gate dielectrics. The lowest conduction band d/sup */-states in TiO/sub 2/, ZrO/sub 2/ and HfO/sub 2/ are correlated with: 1) features in the O K/sub 1/ edge, and 2) transitions from occupied Ti 2p, Zr 3p and Hf 4p states to empty Ti 3d-, Zr 4d-, and Hf 5d-states, respectively. The relative energies of d-state features indicate that the respective optical bandgaps, E/sub opt/ (or equivalently, E/sub g/), and conduction band offset energy with respect to Si, E/sub B/, scale monotonically with the d-state energies of the TM/RE atoms. The multiplicity of d-state features in the Ti L/sub 2,3/ spectrum of TiO/sub 2/, and in the derivative of the O K/sub 1/ spectra for ZrO/sub 2/ and HfO/sub 2/ indicate a removal of d-state degeneracies that results from a static Jahn-Teller effect in these nanocrystalline thin film oxides. Similar removals of d-state degeneracies are demonstrated for complex TM/RE oxides including Zr and Hf titanates, and La, Gd and Dy scandates. Analysis of XAS and band edge spectra indicate an additional band edge state that is assigned Jahn-Teller distortions at internal grain boundaries. These band edges defect states are electronically active in photoconductivity (PC), internal photoemission (IPE), and act as bulk traps in metal oxide semiconductor (MOS) devices, contributing to asymmetries in tunneling and Frenkel-Poole transport that have important consequences for performance and reliability in advanced Si devices.}, number={1}, journal={IEEE TRANSACTIONS ON DEVICE AND MATERIALS RELIABILITY}, author={Lucovsky, G and Fulton, CC and Zhang, Y and Zou, Y and Luning, J and Edge, LF and Whitten, JL and Nemanich, RJ and Ade, H and Schlom, DG and et al.}, year={2005}, month={Mar}, pages={65–83} }
 @article{lucovsky_zhang_fulton_zou_nemanich_ade_whitten_2005, title={Final state effects in VUV and soft X-ray absorption spectra of transition metal oxides and silicate alloys: comparisons between experiment and ab initio calculations}, volume={144}, ISSN={["1873-2526"]}, DOI={10.1016/j.elspec.2005.01.251}, abstractNote={This paper uses X-ray absorption spectroscopy and vacuum ultra-violet spectroscopic ellipsometry to study the electronic structure of high-k transition metal (TM) oxide gate dielectrics. The results are applicable to TM and rare earth (RE) silicate and aluminate alloys, as well as complex oxides comprised of mixed TM/TM and TM/RE oxides. These studies identify the nature of the lowest conduction band d* states, which define the optical band gap, including their relationship to the band gap, Eg, of the oxide.}, journal={JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA}, author={Lucovsky, G and Zhang, Y and Fulton, CC and Zou, Y and Nemanich, RJ and Ade, H and Whitten, JL}, year={2005}, month={Jun}, pages={917–919} }
 @article{fulton_lucovsky_zhang_zou_nemanich_ade_whitten_2005, title={Studies of the coupling of final d*-states in mixed Hf and Ti oxides (HfO2)(x)(TiOx)(1-x) and other complex oxides}, volume={144}, ISSN={["1873-2526"]}, DOI={10.1016/j.elspec.2005.01.098}, abstractNote={Abstract X-ray absorption spectroscopy and vacuum ultra-violet spectroscopic ellipsometry are used to study the electronic structure of complex oxides comprised of mixed TM/TM and TM/RE oxides. Experimental spectra for HfTiO 4 and Gd(Dy)ScO 3 indicate multiple d-state features in the O K 1 edge. These are compared with the empirical models for atomic d-state mixing. It is concluded that a mean field, virtual alloy model does not apply, and that the effects associated with the differences in atomic coordination and deviations from ideal octahedral or cubic bonding play a determinant role in d-state atom mixing. The results are applied band edge engineering options for high- k dielectric applications.}, journal={JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA}, author={Fulton, CC and Lucovsky, G and Zhang, Y and Zou, Y and Nemanich, RJ and Ade, H and Whitten, JL}, year={2005}, month={Jun}, pages={913–916} }