| Year |
Citation |
Score |
| 2020 |
Craco L, Leoni S. Pressure-induced orbital-selective metal from the Mott insulator BaFe2Se3 Physical Review B. 101. DOI: 10.1103/Physrevb.101.245133 |
0.357 |
|
| 2019 |
Craco L, Carara SS, Leoni S. Electronic structure of BiFeO3 in the presence of strong electronic correlations Physical Review B. 99. DOI: 10.1103/Physrevb.99.045112 |
0.334 |
|
| 2019 |
Craco L, Leoni S. Theory of two-fluid metallicity in superconducting FeSe at high pressure Physical Review B. 100: 121101. DOI: 10.1103/Physrevb.100.121101 |
0.323 |
|
| 2019 |
Craco L, Leoni S. LDA+DMFT approach to electronic structure of sodium metal Physical Review B. 100: 115156. DOI: 10.1103/Physrevb.100.115156 |
0.336 |
|
| 2018 |
Jobbins SA, Boulfelfel SE, Leoni S. Metashooting: a novel tool for free energy reconstruction from polymorphic phase transition mechanisms. Faraday Discussions. PMID 30039129 DOI: 10.1039/C8Fd00053K |
0.345 |
|
| 2018 |
Craco L, Leoni S. Microscopic description of localization-delocalization transitions in BaFe 2 S 3 Physical Review B. 98: 195107. DOI: 10.1103/Physrevb.98.195107 |
0.39 |
|
| 2018 |
Craco L, Pereira TAdS, Ferreira SR, Carara SS, Leoni S. Kondo-semimetal to Fermi-liquid phase crossover in black phosphorus to pressure-induced orbital-nematic gray phosphorus Physical Review B. 98. DOI: 10.1103/Physrevb.98.035114 |
0.35 |
|
| 2017 |
Craco L, Laad MS, Leoni S. Microscopic description of insulator-metal transition in high-pressure oxygen. Scientific Reports. 7: 2632. PMID 28572665 DOI: 10.1038/S41598-017-02730-Z |
0.365 |
|
| 2017 |
Craco L, Leoni S. Selective orbital reconstruction in tetragonal FeS: A density functional dynamical mean-field theory study. Scientific Reports. 7: 46439. PMID 28418042 DOI: 10.1038/Srep46439 |
0.357 |
|
| 2017 |
Springer S, Heidenreich N, Stock N, Wüllen Lv, Huber K, Leoni S, Wiebcke M. The ZIF system zinc(II) 4,5-dichoroimidazolate: theoretical and experimental investigations of the polymorphism and crystallization mechanisms Zeitschrift Fur Kristallographie. 232: 77-90. DOI: 10.1515/Zkri-2016-1968 |
0.303 |
|
| 2017 |
Craco L, Pereira TAdS, Leoni S. Electronic structure and thermoelectric transport of black phosphorus Physical Review B. 96: 75118. DOI: 10.1103/Physrevb.96.075118 |
0.322 |
|
| 2016 |
Springer S, Baburin IA, Heinemeyer T, Schiffmann JG, Wüllen Lv, Leoni S, Wiebcke M. A zeolitic imidazolate framework with conformational variety: conformational polymorphs versus frameworks with static conformational disorder Crystengcomm. 18: 2477-2489. DOI: 10.1039/C6Ce00312E |
0.329 |
|
| 2015 |
Craco L, Selli D, Seifert G, Leoni S. Revealing the hidden correlated electronic structure of strained graphene Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.205120 |
0.324 |
|
| 2014 |
Craco L, Laad MS, Leoni S. Orbital-selective Mottness in layered iron oxychalcogenides: the case of Na2Fe2OSe2. Journal of Physics: Condensed Matter. 26: 145602. PMID 24637427 DOI: 10.1088/0953-8984/26/14/145602 |
0.369 |
|
| 2014 |
Schweinefuss ME, Springer S, Baburin IA, Hikov T, Huber K, Leoni S, Wiebcke M. Zeolitic imidazolate framework-71 nanocrystals and a novel SOD-type polymorph: solution mediated phase transformations, phase selection via coordination modulation and a density functional theory derived energy landscape. Dalton Transactions (Cambridge, England : 2003). 43: 3528-36. PMID 24394558 DOI: 10.1039/C3Dt52992D |
0.302 |
|
| 2014 |
Boulfelfel SE, Selli D, Leoni S. Mechanism of Polymorphic Transformations in the Chemical Elements Acta Crystallographica Section A. 70. DOI: 10.1107/S2053273314084630 |
0.331 |
|
| 2014 |
Schweinefuß ME, Baburin IA, Schröder CA, Näther C, Leoni S, Wiebcke M. Indium imidazolate frameworks with differently distorted ReO3-type structures: syntheses, structures, phase transitions, and crystallization studies Crystal Growth & Design. 14: 4664-4673. DOI: 10.1021/Cg5007499 |
0.343 |
|
| 2014 |
Boulfelfel SE, Selli D, Leoni S. Novel Carbons: Habits and Oddities Zeitschrift FüR Anorganische Und Allgemeine Chemie. 640: 681-688. DOI: 10.1002/Zaac.201300652 |
0.307 |
|
| 2013 |
Selli D, Baburin IA, Martoňák R, Leoni S. Novel metastable metallic and semiconducting germaniums. Scientific Reports. 3: 1466. PMID 23492980 DOI: 10.1038/Srep01466 |
0.351 |
|
| 2013 |
Schröder CA, Baburin IA, Wüllen Lv, Wiebcke M, Leoni S. Subtle polymorphism of zinc imidazolate frameworks: temperature-dependent ground states in the energy landscape revealed by experiment and theory Crystengcomm. 15: 4036-4040. DOI: 10.1039/C2Ce26045J |
0.339 |
|
| 2012 |
Boulfelfel SE, Oganov AR, Leoni S. Understanding the nature of "superhard graphite". Scientific Reports. 2: 471. PMID 22745897 DOI: 10.1038/Srep00471 |
0.35 |
|
| 2012 |
Boulfelfel SE, Seifert G, Grin Y, Leoni S. Squeezing lone pairs: The A17 to A7 pressure-induced phase transition in black phosphorus Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.014110 |
0.314 |
|
| 2012 |
Selli D, Boulfelfel SE, Baburin IA, Seifert G, Leoni S. Framework reconstruction between hR8 and cI16 germaniums: A molecular dynamics study Rsc Advances. 2: 8833-8839. DOI: 10.1039/C2Ra20837G |
0.303 |
|
| 2011 |
Baburin IA, Assfour B, Seifert G, Leoni S. Polymorphs of lithium-boron imidazolates: energy landscape and hydrogen storage properties. Dalton Transactions (Cambridge, England : 2003). 40: 3796-8. PMID 21125132 DOI: 10.1039/C0Dt01441A |
0.301 |
|
| 2011 |
Craco L, Laad MS, Leoni S. Unconventional Mott transition in K x Fe 2 − y Se 2 Physical Review B. 84: 224520. DOI: 10.1103/Physrevb.84.224520 |
0.348 |
|
| 2011 |
Selli D, Baburin IA, Martoňák R, Leoni S. Superhard s p3 carbon allotropes with odd and even ring topologies Physical Review B. 84. DOI: 10.1103/Physrevb.84.161411 |
0.31 |
|
| 2011 |
Leoni S, Boulfelfel SE, Baburin IA. A Walk on the Chemical Landscape: The Role of B33 along the B1–B2 Phase Transition in RbF and NaBr Zeitschrift FüR Anorganische Und Allgemeine Chemie. 637: 864-869. DOI: 10.1002/Zaac.201100045 |
0.336 |
|
| 2010 |
Paściak M, Boulfelfel SE, Leoni S. Polarized cluster dynamics at the paraelectric to ferroelectric phase transition in BaTiO3. The Journal of Physical Chemistry. B. 114: 16465-70. PMID 21086963 DOI: 10.1021/Jp106206Y |
0.312 |
|
| 2010 |
Leoni S. Structural transitions in solids. Acta Crystallographica. Section a, Foundations of Crystallography. 66: 505-6. PMID 20720315 DOI: 10.1107/S0108767310030291 |
0.316 |
|
| 2010 |
Craco L, Laad MS, Leoni S. Low-temperature metal-insulator transition in the electron-doped iron chalcogenide FeSe superconductor Epl. 91: 27001. DOI: 10.1209/0295-5075/91/27001 |
0.322 |
|
| 2010 |
Mercuri F, Leoni S, Green JC, Wilson M. Atomistic engineering in the control of the electronic properties of CdSe nanotubes Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.155429 |
0.327 |
|
| 2010 |
Paściak M, Wołcyrz M, Pietraszko A, Leoni S. Local structure in the paraelectric phase of Cd2Nb2O7 determined from x-ray diffuse scattering, by means of ab initio molecular dynamics and Monte Carlo modeling Physical Review B. 81. DOI: 10.1103/Physrevb.81.014107 |
0.304 |
|
| 2009 |
Craco L, Laad MS, Leoni S, Rosner H. Self-doping induced orbital-selective Mott transition in Hg2Ru2O7 Physical Review B. 79. DOI: 10.1103/Physrevb.79.075125 |
0.319 |
|
| 2009 |
Laad MS, Craco L, Leoni S, Rosner H. Electrodynamic response of incoherent metals : Normal phase of iron pnictides Physical Review B. 79. DOI: 10.1103/Physrevb.79.024515 |
0.324 |
|
| 2009 |
Bergner C, Vashook V, Leoni S, Langbein H. VNb9O25−δ—Synthesis, electrical conducting behaviour and density functional theory (DFT) calculation Journal of Solid State Chemistry. 182: 2053-2060. DOI: 10.1016/J.Jssc.2009.05.015 |
0.321 |
|
| 2008 |
Leoni S, Ramlau R, Meier K, Schmidt M, Schwarz U. Nanodomain fragmentation and local rearrangements in CdSe under pressure. Proceedings of the National Academy of Sciences of the United States of America. 105: 19612-6. PMID 19052229 DOI: 10.1073/Pnas.0805235105 |
0.331 |
|
| 2008 |
Craco L, Laad MS, Leoni S, Rosner H. Normal-state correlated electronic structure of iron pnictides from first principles Physical Review B. 78. DOI: 10.1103/Physrevb.78.134511 |
0.31 |
|
| 2008 |
Boulfelfel SE, Leoni S. Competing intermediates in the pressure-induced wurtzite to rocksalt phase transition in ZnO Physical Review B. 78. DOI: 10.1103/Physrevb.78.125204 |
0.355 |
|
| 2008 |
Leoni S, Yaresko AN, Perkins N, Rosner H, Craco L. Orbital-spin order and the origin of structural distortion in MgTi2O4 Physical Review B. 78. DOI: 10.1103/Physrevb.78.125105 |
0.321 |
|
| 2008 |
Craco L, Laad MS, Leoni S, Rosner H. Theory of the orbital-selective Mott transition in ferromagnetic YTiO3 under high pressure Physical Review B. 77. DOI: 10.1103/Physrevb.77.075108 |
0.372 |
|
| 2008 |
Bräunung D, Leoni S, Mills AM, Ruck M. Framework compounds with mobile LaIII cations: Syntheses, crystal structures and structural dynamics of the lanthanum(III) iron(II) sulfide halides La53Fe12S90X3 (X = Cl, Br, I) | Gerüstverbindungen mit Beweglichen LaIII-kationen: Synthesen, Kristallstrukturen und Strukturdynamik der Lanthan(III)-eisen(II)- Sulfid-halogenide La53Fe12S90X3 (X = Cl, Br, I) Zeitschrift Fur Anorganische Und Allgemeine Chemie. 634: 107-114. DOI: 10.1002/Zaac.200700366 |
0.301 |
|
| 2007 |
Leoni S. Solid-solid phase transitions: interface controlled reactivity and formation of intermediate structures. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 10022-9. PMID 17999395 DOI: 10.1002/Chem.200701078 |
0.354 |
|
| 2007 |
Boulfelfel SE, Zahn D, Grin Y, Leoni S. Walking the path from B4- to B1-type structures in GaN. Physical Review Letters. 99. PMID 17930518 DOI: 10.1103/Physrevlett.99.125505 |
0.363 |
|
| 2007 |
Pasciak M, Leoni S. Microscopic Mechanism and Domain Formation in the Paraelectric to Ferroelectric Phase Transitions in BaTiO 3 Mrs Proceedings. 1034. DOI: 10.1557/Proc-1034-K07-09 |
0.303 |
|
| 2007 |
Craco L, Leoni S, Laad MS, Rosner H. Orbital-selective charge dynamics in YTiO3 across the magnetic transition: Combined local-density approximation and dynamical mean-field theory Physical Review B. 76. DOI: 10.1103/Physrevb.76.115128 |
0.331 |
|
| 2007 |
Zahn D, Hochrein O, Kawska A, Seifert G, Grin Y, Kniep R, Leoni S. Extending the scope of 'in silico experiments': Theoretical approaches for the investigation of reaction mechanisms, nucleation events and phase transitions Science and Technology of Advanced Materials. 8: 434-441. DOI: 10.1016/J.Stam.2007.05.003 |
0.329 |
|
| 2006 |
Zahn D, Leoni S. Mechanisms and nucleation characteristics of the pressure-induced B1-B2 transition in potassium halides: a question of ion hardness and softness. The Journal of Physical Chemistry. B. 110: 10873-7. PMID 16771339 DOI: 10.1021/Jp061538F |
0.373 |
|
| 2006 |
Demchyna R, Leoni S, Rosner H, Schwarz U. High-pressure crystal chemistry of binary intermetallic compounds Zeitschrift Fur Kristallographie. 221: 420-434. DOI: 10.1524/Zkri.2006.221.5-7.420 |
0.345 |
|
| 2006 |
Boulfelfel SE, Zahn D, Hochrein O, Grin Y, Leoni S. Publisher's Note: Low-dimensional sublattice melting by pressure: Superionic conduction in the phase interfaces of the fluorite-to-cotunnite transition of CaF 2 [Phys. Rev. B 74, 094106 (2006)] Physical Review B. 74: 139903. DOI: 10.1103/Physrevb.74.139903 |
0.331 |
|
| 2006 |
Boulfelfel SE, Zahn D, Hochrein O, Grin Y, Leoni S. Low-dimensional sublattice melting by pressure : Superionic conduction in the phase interfaces of the fluorite-to-cotunnite transition of CaF2 Physical Review B. 74. DOI: 10.1103/Physrevb.74.094106 |
0.368 |
|
| 2006 |
Leoni S, Craco L, Ormeci A, Rosner H. The role of covalency in the orbital-order of 3d1 perovskites Solid State Sciences. 8: 1138-1143. DOI: 10.1016/J.Solidstatesciences.2006.05.016 |
0.339 |
|
| 2006 |
Leoni S, Zahn D. Full‐Featured Simulation of Reconstructive Solid‐Solid Phase Transitions Zeitschrift FüR Anorganische Und Allgemeine Chemie. 632: 2086-2086. DOI: 10.1002/Zaac.200670021 |
0.303 |
|
| 2005 |
Zahn D, Hochrein O, Leoni S. Multicenter multidomain B1-B2 pressure-induced reconstructive phase transition in potassium fluoride Physical Review B. 72. DOI: 10.1103/Physrevb.72.094106 |
0.304 |
|
| 2005 |
Zahn D, Grin Y, Leoni S. Mechanism of the pressure-induced wurtzite to rocksalt transition of CdSe Physical Review B. 72. DOI: 10.1103/Physrevb.72.064110 |
0.304 |
|
| 2004 |
Zahn D, Leoni S. Nucleation and growth in pressure-induced phase transitions from molecular dynamics simulations: mechanism of the reconstructive transformation of NaCl to the CsCl-type structure. Physical Review Letters. 92: 250201. PMID 15244985 DOI: 10.1103/Physrevlett.92.250201 |
0.367 |
|
| 2004 |
Leoni S, Zahn D. Putting the squeeze on NaCl: modelling and simulation of the pressure driven B1-B2 phase transition Zeitschrift Fur Kristallographie. 219: 339-344. DOI: 10.1524/Zkri.219.6.339.34641 |
0.303 |
|
| 2004 |
Craco L, Laad MS, Leoni S, Müller-Hartmann E. Insulator-metal transition in the doped 3d1 transition metal oxide LaTiO3 Physical Review B. 70. DOI: 10.1103/Physrevb.70.195116 |
0.35 |
|
| 2003 |
Niewa R, Zherebtsov DA, Leoni S. Li3[ScN2]: the first nitridoscandate(III)-tetrahedral Sc coordination and unusual MX2 framework. Chemistry (Weinheim An Der Bergstrasse, Germany). 9: 4255-9. PMID 12953211 DOI: 10.1002/Chem.200304986 |
0.311 |
|
| 2003 |
Zürcher F, Leoni S, Nesper R. Chemical, thermal, and theoretical analysis of the α-β phase transition of Ba3Tt4 compounds Zeitschrift Fur Kristallographie. 218: 171-177. DOI: 10.1524/Zkri.218.3.171.20754 |
0.35 |
|
| 2003 |
Leoni S, Carrillo-Cabrera W, Schnelle W, Grin Y. BaAl2Ge2: synthesis, crystal structure, magnetic and electronic properties, chemical bonding, and atomistic model of the α β phase transition Solid State Sciences. 5: 139-148. DOI: 10.1016/S1293-2558(02)00088-2 |
0.321 |
|
| 2003 |
Leoni S, Nesper R. Elucidation of simple pathways for reconstructive phase transitions using periodic equi-surfaces (PES) descriptors. II. The strontium disilicide transition Solid State Sciences. 5: 95-107. DOI: 10.1016/S1293-2558(02)00083-3 |
0.309 |
|
| 2003 |
Leoni S, Carrillo-Cabrera W, Grin Y. Modelling of the α (clathrate VIII) ↔ β (clathrate I) phase transition in Eu8Ga16Ge30 Journal of Alloys and Compounds. 350: 113-122. DOI: 10.1016/S0925-8388(02)00932-5 |
0.337 |
|
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