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Ferroelectric nanostructures have recently attracted much attention due to the quest of miniaturizing devices and discovering novel phenomena. In particular, studies conducted on two-dimensional and zero-dimensional ferroelectrics have revealed original pr ...
TaSe3 belongs to a class of low-dimensional materials characterized by the interplay and competition between dimensionality crossover and broken symmetry ground states. A comprehensive study by dc-transport, optical, and angle-resolved photoemission (ARPES ...
Recently we found strong evidence in favor of a BCS-like condensation of excitons in 1T-TiSe2 [Cercellier , Phys. Rev. Lett. 99, 146403 (2007)]. Theoretical photoemission intensity maps have been generated by the spectral function calculated within the exc ...
Pronounced anisotropy of magnetic properties and complex magnetic order of a new oxi-halide compound Co-7(TeO3)(4)Br-6 has been investigated by powder and single-crystal neutron-diffraction, magnetization, and ac susceptibility techniques. Anisotropy of su ...
We recently reported a low-dimensional compd., RbNa3Fe7(PO4)6, that contains electronically confined magnetic nanostructures (Angew.Chem. Int. Ed. 2007, 46, 5344-5347). The field dependent magnetization plot of RbNa3Fe7(PO4)3 shows stepped variations at in ...
A simplified formulation of the harmonic reaction path Hamiltonian (RPH) approach is used to calculate mode specific tunneling splittings and stereomutation times in (CH3OH)-C-12 and (CH3OH)-C-13. The experimental torsional spectrum is very well reproduced ...
Despite a large amount of data and numerous theoretical proposals, the microscopic mechanism of ransport in thick-film resistors remains unclear. However, recent low-temperature measurements point toward a possible variable-range-hopping mechanism of trans ...
This thesis is concerned with the theoretical study of the physical characteristics of metallic surfaces. Ab initio quantum calculations are performed to determine the electronic properties of clean elemental metal surfaces, fully accounting for the materi ...
We report evidence for the reduction of long range lattice order caused by slight departures from the optimal growth temperature in fully doped (x≈0.9) YBa2Cu3O6+x films deposited by ion-beam sputtering on 〈001⟩ SrTiO3. We estimate the characterist ...
Ab initio calculations on surface diffusion of Cu adatoms on Cu(001) are presented. The hopping mechanism with a calculated energy barrier of 0.69 eV is found to be favorable over the exchange mechanism with 0.97 eV. We find from the geometry relaxations t ...
