Search Results - "Mosca, Dario"

The Mott transition in the 5d1 compound Ba2NaOsO6: A DFT+DMFT study with PAW spinor projectors by Fiore Mosca, Dario, Schnait, Hermann, Celiberti, Lorenzo, Aichhorn, Markus, Franchini, Cesare

“…Spin–orbit coupling has been reported to be responsible for the insulating nature of the 5d1 osmate double perovskite Ba2NaOsO6 (BNOO). However, whether…”
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Spin-orbital Jahn-Teller bipolarons by Celiberti, Lorenzo, Fiore Mosca, Dario, Allodi, Giuseppe, Pourovskii, Leonid V., Tassetti, Anna, Forino, Paola Caterina, Cong, Rong, Garcia, Erick, Tran, Phuong M., De Renzi, Roberto, Woodward, Patrick M., Mitrović, Vesna F., Sanna, Samuele, Franchini, Cesare

“…Polarons and spin-orbit (SO) coupling are distinct quantum effects that play a critical role in charge transport and spin-orbitronics. Polarons originate from…”
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Doping Evolution of the Local Electronic and Structural Properties of the Double Perovskite Ba2Na1–xCaxOsO6 by Kesavan, Jagadesh Kopula, Fiore Mosca, Dario, Sanna, Samuele, Borgatti, Francesco, Schuck, Götz, Tran, Phuong Minh, Woodward, Patrick M., Mitrović, Vesna F., Franchini, Cesare, Boscherini, Federico

“…We present a combined experimental and computational study of the effect of charge doping in the osmium based double perovskite Ba 2 Na 1– x Ca x OsO 6 for 0 ≤…”
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Ferro-octupolar Order and Low-Energy Excitations in d^{2} Double Perovskites of Osmium by Pourovskii, Leonid V, Mosca, Dario Fiore, Franchini, Cesare

“…Conflicting interpretations of experimental data preclude the understanding of the quantum magnetic state of spin-orbit coupled d^{2} double perovskites…”
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Ferro-octupolar Order and Low-Energy Excitations in d 2 Double Perovskites of Osmium by Pourovskii, Leonid V., Mosca, Dario Fiore, Franchini, Cesare

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The Mott transition in the 5d 1 compound Ba 2 NaOsO 6 : A DFT+DMFT study with PAW spinor projectors by Fiore Mosca, Dario, Schnait, Hermann, Celiberti, Lorenzo, Aichhorn, Markus, Franchini, Cesare

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Stereospecific Winding of Polycyclic Aromatic Hydrocarbons into Trinacria Propellers by Mosca, Dario, Stopin, Antoine, Wouters, Johan, Demitri, Nicola, Bonifazi, Davide

“…The stereospecific trimerization of enantiomerically pure binaphthols with hexakis(bromomethyl)benzene gives access in one step to enantiomerically pure…”
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Modelling Magnetic Multipolar Phases in Density Functional Theory by Mosca, Dario Fiore, Pourovskii, Leonid V, Franchini, Cesare

“…Multipolar magnetic phases in correlated insulators represent a great challenge for Density Functional Theory (DFT) due to the coexistence of intermingled…”
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Front Cover: Stereospecific Winding of Polycyclic Aromatic Hydrocarbons into Trinacria Propellers (Chem. Eur. J. 61/2017) by Mosca, Dario, Stopin, Antoine, Wouters, Johan, Demitri, Nicola, Bonifazi, Davide

“…The synthesis of molecular propellers featuring low‐energy activation barriers of the racemization reaction remains elusive. The trimerization reaction of…”
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Stereospecific Winding of Polycyclic Aromatic Hydrocarbons into Trinacria Propellers by Mosca, Dario, Stopin, Antoine, Wouters, Johan, Demitri, Nicola, Bonifazi, Davide

“…Invited for the cover of this issue is the group of Bonifazi at the University of Cardiff and their collaborators from University of Namur (Belgium) and…”
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Spin-orbital Jahn-Teller bipolarons by Celiberti, Lorenzo, Mosca, Dario Fiore, Allodi, Giuseppe, Pourovskii, Leonid V, Tassetti, Anna, Forino, Paola Caterina, Cong, Rong, Garcia, Erick, Tran, Phuong M, De Renzi, Roberto, Woodward, Patrick M, Mitrović, Vesna F, Sanna, Samuele, Franchini, Cesare

“…Polarons and spin-orbit (SO) coupling are distinct quantum effects that play a critical role in charge transport and spin-orbitronics. Polarons originate from…”
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Doping Evolution of the Local Electronic and Structural Properties of the Double Perovskite Ba2Na1–x Ca x OsO6 by Kesavan, Jagadesh Kopula, Fiore Mosca, Dario, Sanna, Samuele, Borgatti, Francesco, Schuck, Götz, Tran, Phuong Minh, Woodward, Patrick M, Mitrović, Vesna F, Franchini, Cesare, Boscherini, Federico

“…We present a combined experimental and computational study of the effect of charge doping in the osmium based double perovskite Ba2Na1–x Ca x OsO6 for 0 ≤ x ≤…”
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Doping Evolution of the Local Electronic and Structural Properties of the Double Perovskite Ba 2 Na 1- x Ca x OsO 6 by Kesavan, Jagadesh Kopula, Fiore Mosca, Dario, Sanna, Samuele, Borgatti, Francesco, Schuck, Götz, Tran, Phuong Minh, Woodward, Patrick M, Mitrović, Vesna F, Franchini, Cesare, Boscherini, Federico

“…We present a combined experimental and computational study of the effect of charge doping in the osmium based double perovskite Ba Na Ca OsO for 0 ≤ ≤ 1 in…”
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Long-Range Supramolecular Assembly of a Pyrene-Derivatized Polythiophene/MWCNT Hybrid for Resilient Flexible Electrochromic Displays by Ferreira, Rúben R., Mosca, Dario, Moreira, Tiago, Wakchaure, Vivek Chandrakant, Romano, Gianvito, Stopin, Antoine, Pinheiro, Carlos, Luci, Alexander M. T., Perdigão, Luís M. A., Costantini, Giovanni, Amenitsch, Heinz, Laia, Cesar A. T., Parola, A. Jorge, Maggini, Laura, Bonifazi, Davide

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Interplay of superexchange and vibronic effects in the hidden order of Ba$_2$MgReO$_6$ from first principles by Mosca, Dario Fiore, Franchini, Cesare, Pourovskii, Leonid V

“…Physical Review B 110, L201101 (2024) The origin of the "hidden" quadrupolar and unconventional magnetic low-temperature orders observed in the spin-orbit…”
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The Mott transition in the 5d$^1$ compound Ba$_2$NaOsO$_6:$ a DFT+DMFT study with PAW spinor projectors by Mosca, Dario Fiore, Schnait, Hermann, Celiberti, Lorenzo, Aichhorn, Markus, Franchini, Cesare

“…Spin-orbit coupling has been reported to be responsible for the insulating nature of the 5d$^1$ osmate double perovskite Ba$_2$NaOsO$_6$ (BNOO). However,…”
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Ferro-octupolar order and low-energy excitations in d$^2$ double perovskites of Osmium by Pourovskii, Leonid V, Mosca, Dario Fiore, Franchini, Cesare

“…Phys. Rev. Lett. 127, 237201 (2021) Conflicting interpretations of experimental data preclude the understanding of the quantum magnetic state of spin-orbit…”
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Spectroscopic signatures and origin of a hidden order in Ba$_2$MgReO$_6 by Soh, Jian-Rui, Merkel, Maximilian E, Pourovskii, Leonid, Živković, Ivica, Malanyuk, Oleg, Pásztorová, Jana, Francoual, Sonia, Hirai, Daigorou, Urru, Andrea, Tolj, Davor, Fiore-Mosca, Dario, Yazyev, Oleg, Spaldin, Nicola A, Ederer, Claude, Rønnow, Henrik M

“…Clarifying the underlying mechanisms that govern ordering transitions in condensed matter systems is crucial for comprehending emergent properties and…”
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Interplay between multipolar spin interactions, Jahn-Teller effect and electronic correlation in a $J_{eff}=\frac{3}{2}$ insulator by Mosca, Dario Fiore, Pourovskii, Leonid V, Kim, Beom Hyun, Liu, Peitao, Sanna, Samuele, Boscherini, Federico, Khmelevskyi, Sergii, Franchini, Cesare

“…In this work we study the complex entanglement between spin interactions, electron correlation and Janh-Teller structural instabilities in the 5d$^1$…”
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