Sfoglia per Autore
Electronic structure of pristine and Ni-substituted LaFeO3 from near edge x-ray absorption fine structure experiments and first-principles simulations
2020-01-01 Timrov, Iurii; Agrawal, Piyush; Zhang, Xinyu; Erat, Selma; Liu, Riping; Braun, Artur; Cococcioni, Matteo; Calandra, Matteo; Marzari, Nicola; Passerone, Daniele
Weak Dimensionality Dependence and Dominant Role of Ionic Fluctuations in the Charge-Density-Wave Transition of NbSe2
2020-01-01 Bianco, Raffaello; Monacelli, Lorenzo; Calandra, Matteo; Mauri, Francesco; Errea, Ion
van der Waals driven anharmonic melting of the 3D charge density wave in VSe2
2021-01-01 Diego, J.; Said, A. H.; Mahatha, S. K.; Bianco, R.; Monacelli, L.; Calandra Buonaura, M.; Mauri, F.; Rossnagel, K.; Errea, I.; Blanco-Canosa, S.
Anomalous High-Temperature Superconductivity in YH6
2021-01-01 Troyan, I. A.; Semenok, D. V.; Kvashnin, A. G.; Sadakov, A. V.; Sobolevskiy, O. A.; Pudalov, V. M.; Ivanova, A. G.; Prakapenka, V. B.; Greenberg, E.; Gavriliuk, A. G.; Lyubutin, I. S.; Struzhkin, V. V.; Bergara, A.; Errea, I.; Bianco, R.; Calandra Buonaura, M.; Mauri, F.; Monacelli, L.; Akashi, R.; Oganov, A. R.
Lattice dynamics of photoexcited insulators from constrained density-functional perturbation theory
2021-01-01 Marini, Giovanni; Calandra, Matteo
Misfit Layer Compounds: A Platform for Heavily Doped 2D Transition Metal Dichalcogenides
2021-01-01 Leriche, Raphaël T.; Palacio‐morales, Alexandra; Campetella, Marco; Tresca, Cesare; Sasaki, Shunsuke; Brun, Christophe; Debontridder, François; David, Pascal; Arfaoui, Imad; Šofranko, Ondrej; Samuely, Tomas; Kremer, Geoffroy; Monney, Claude; Jaouen, Thomas; Cario, Laurent; Calandra, Matteo; Cren, Tristan
Charge density wave in single-layer Pb/Ge(111) driven by Pb-substrate exchange interaction
2021-01-01 Tresca, C.; Calandra Buonaura, M.
Electronic structure of TiSe2 from a quasi-self-consistent G0W0 approach
2021-01-01 Hellgren, Maria; Baguet, Lucas; Calandra, Matteo; Mauri, Francesco; Wirtz, Ludger
Intrinsic Vibrational Angular Momentum from Nonadiabatic Effects in Noncollinear Magnetic Molecules
2021-01-01 Bistoni, Oliviero; Mauri, Francesco; Calandra, Matteo
Light-Tunable Charge Density Wave Orders in MoTe2 and WTe2 Single Layers
2021-01-01 Marini, Giovanni; Calandra, Matteo
Polar magnetic metallic state in few-layer BiFeO3
2021-01-01 Campetella, Marco; Calandra, Matteo
The stochastic self-consistent harmonic approximation: Calculating vibrational properties of materials with full quantum and anharmonic effects
2021-01-01 Monacelli, L.; Bianco, R.; Cherubini, M.; Calandra Buonaura, M.; Errea, I.; Mauri, F.
Dominant Role of Quantum Anharmonicity in the Stability and Optical Properties of Infinite Linear Acetylenic Carbon Chains
2021-01-01 Romanin, Davide; Monacelli, Lorenzo; Bianco, Raffaello; Errea, Ion; Mauri, Francesco; Calandra, Matteo
Black metal hydrogen above 360 GPa driven by proton quantum fluctuations
2021-01-01 Monacelli, L.; Errea, I.; Calandra Buonaura, M.; Mauri, F.
Ab-initio energetics of graphite and multilayer graphene: stability of Bernal versus rhombohedral stacking
2021-01-01 Paul Nery, Jean; Calandra, Matteo; Mauri, Francesco
2D Monolayer of the 1T’ Phase of Alloyed WSSe from Colloidal Synthesis
2021-01-01 Shahmanesh, Ashkan; Romanin, Davide; Dabard, Corentin; Chee, Sang-Soo; Gréboval, Charlie; Methivier, Christophe; Silly, Mathieu G.; Chaste, Julien; Bugnet, Matthieu; Pierucci, Debora; Ouerghi, Abdelkarim; Calandra, Matteo; Lhuillier, Emmanuel; Mahler, Benoit
High-Pressure Tuning of Magnon-Polarons in the Layered Antiferromagnet FePS3
2022-01-01 Pawbake, Amit; Pelini, Thomas; Delhomme, Alex; Romanin, Davide; Vaclavkova, Diana; Martinez, Gerard; Calandra, Matteo; Measson, Marie-Aude; Veis, Martin; Potemski, Marek; Orlita, Milan; Faugeras, Clement
Why mercury is a superconductor
2022-01-01 Tresca, Cesare; Profeta, Gianni; Marini, Giovanni; Bachelet, Giovanni B.; Sanna, Antonio; Calandra, Matteo; Boeri, Lilia
Excitonic switching across a Z2 topological phase transition: From Mott-Wannier to Frenkel excitons in organic materials
2022-01-01 Romanin, D.; Calandra Buonaura, M.; Chin, A. W.
Theory of ultrafast magnetization of nonmagnetic semiconductors with localized conduction bands
2022-01-01 Marini, Giovanni; Calandra Buonaura, Matteo
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