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Accelerating GW calculations with optimal polarizability basis
Geoffrey Stenuit, Stefano Baroni, Nicola Marzari, Xiaofeng Qian, Luigi Giacomazzi, Paolo Umari, 2011, independent scientific component part or a chapter in a monograph

Found in: ključnih besedah
Summary of found: ...GW, silicon nitride, DFT, silica, electronic structure...
Keywords: GW, silicon nitride, DFT, silica, electronic structure
Published: 19.10.2018; Views: 2523; Downloads: 0
.pdf Fulltext (274,33 KB)

Interplay among Work Function, electronic structure and stoichiometry in nanostructured VOx films
2020, original scientific article

Abstract: The work function is the parameter of greatest interest in many technological applications involving charge exchange mechanisms at the interface. The possibility to produce samples with a controlled work function is then particularly interesting, albeit challenging. We synthetized nanostructured vanadium oxide films by a room temperature Supersonic Cluster Beam Deposition method, obtaining samples with tunable stoichiometry and work function (3.7-7 eV). We present an investigation of the electronic structure of several vanadium oxide films as a function of the oxygen content via in-situ Auger, valence-band photoemission spectroscopy and work function measurements. The experiments probed the partial 3d density of states, highlighting the presence of strong V3d-O2p and V3d-V4s hybridization which influence 3d occupation. We show how controlling the stoichiometry of the sample implies control over work function, and that the access to nanoscale quantum confinement can be exploited to increase the work function of the sample relative to the bulk analogue. In general, the knowledge of the interplay among work function, electronic structure, and stoichiometry is strategic to match nanostructured oxides to their target applications
Found in: ključnih besedah
Keywords: work function, VOx, Electronic structure, nanostructured films
Published: 24.02.2020; Views: 1881; Downloads: 0
.pdf Fulltext (2,03 MB)

Orbital selective dynamics in Fe-pnictides triggered by polarized pump pulse excitations
Kalobaran Maiti, A. Thamizhavel, Giovanni De Ninno, Jurij Urbančič, Barbara Ressel, Matija Stupar, Primož Rebernik Ribič, Tanusree Saha, Ganesh Adhikary, 2021, original scientific article

Abstract: Quantum materials display exotic behaviours related to the interplay between temperature-driven phase transitions. Here, we study the electron dynamics in one such material, CaFe$_2$As$_2$, a parent Fe-based superconductor, employing time and angle-resolved photoemission spectroscopy. CaFe$_2$As$_2$ exhibits concomitant transition to spin density wave state and tetragonal to orthorhombic structure below 170 K. The Fermi surface of this material consists of three hole pockets ($\alpha$, $\beta$ and $\gamma$) around $\Gamma$-point and two electron pockets around $X$-point. The hole pockets have $d_{xy}$, $d_{yz}$ and $d_{zx}$ orbital symmetries. The $\beta$ band constituted by $d_{xz}$/$d_{yz}$ orbitals exhibit a gap across the magnetic phase transition. We discover that polarized pump pulses can induce excitations of electrons of a selected symmetry. More specifically, while $s$-polarized light (polarization vector perpendicular to the $xz$-plane) excites electrons corresponding to all the three hole bands, $p$-polarized light excites electrons essentially from ($\alpha$,$\beta$) bands which are responsible for magnetic order. Interestingly, within the magnetically ordered phase, the excitation due to the $p$-polarized pump pulses occur at a time scale of 50 fs, which is significantly faster than the excitation induced by $s$-polarized light ($\sim$ 200 fs). These results suggest that the relaxation of different ordered phases occurs at different time scales and this method can be used to achieve selective excitations to disentangle complexity in the study of quantum materials.
Found in: ključnih besedah
Summary of found: ... Electronic structure, Pnictides and chalcogenides, Time-resolved spectroscopy...
Keywords: Electronic structure, Pnictides and chalcogenides, Time-resolved spectroscopy
Published: 13.10.2021; Views: 1054; Downloads: 4
.pdf Fulltext (9,56 MB)

Topological properties and self-energy effects in elemental Yb
L. Petaccia, D. Ceresoli, S. Iacobucci, A. Ruocco, Giovanni Stefani, Luka Novinec, M. I. Trioni, Sandra Gardonio, F. Offi, P. M. Sheverdyaeva, 2021, original scientific article

Found in: ključnih besedah
Summary of found: ... electronic structure, topological materials, lanthanides, angle-resolved photoemission spe...
Keywords: electronic structure, topological materials, lanthanides, angle-resolved photoemission spectroscopy
Published: 03.12.2021; Views: 904; Downloads: 30
.pdf Fulltext (1,94 MB)
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