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Publications associées (159)

Ab-initio calculation of surface phonons at the Sb2Te3(111) surface

Density functional perturbation theory is used to study the phonon dispersion relations at the (111) surface of the topological insulator Sb2Te3. Inelastic Helium atom scattering experiments at the (111) surface of the similar Bi2Se3 topological insulator ...

ELSEVIER SCIENCE BV2018

Microwave Photon-Mediated Interactions between Semiconductor Qubits

Pasquale Scarlino, Jann Hinnerk Ungerer

The realization of a coherent interface between distant charge or spin qubits in semiconductor quantum dots is an open challenge for quantum information processing. Here, we demonstrate both resonant (real) and nonresonant (virtual) photon-mediated coheren ...

2018

Magnetic phase diagram of Ca-substituted EuFe2As2

The simultaneous presence of an Fe-related spin-density wave and the antiferromagnetic order of Eu-2(+) moments ranks EuFe2As2 among the most interesting parent compounds of iron-based pnictide superconductors. Here we explore the consequences of the dilut ...

AMER PHYSICAL SOC2018

Strongly gapped spin-wave excitation in the insulating phase of NaOsO3

NaOsO3 hosts a rare manifestation of a metal-insulator transition driven by magnetic correlations, placing the magnetic exchange interactions in a central role. We use resonant inelastic x-ray scattering to directly probe these magnetic exchange interactio ...

Amer Physical Soc2017

J1-J2 square lattice antiferromagnetism in the orbitally quenched insulator MoOPO4

László Forró, Henrik Moodysson Rønnow, Arnaud Magrez, Oleg Yazyev, Ivica Zivkovic, Helmuth Berger, Bálint Náfrádi, Lin Yang, Peter Babkevich, Noore Elahi Shaik

We report magnetic and thermodynamic properties of a 4d1 (Mo5+) magnetic insulator MoOPO4 single crystal, which realizes a J1−J2 Heisenberg spin-1/2 model on a stacked square lattice. The specific-heat measurements show a magnetic transition at 16 K which ...

Amer Physical Soc2017

J1−J2 square-lattice Heisenberg antiferromagnets with 4d1 spins: AMoOPO4Cl (A=K,Rb)

Henrik Moodysson Rønnow, Peter Babkevich

Magnetic properties of AMoOPO4Cl (A=K,Rb) with Mo5+ ions in the 4d1 electronic configuration are investigated by magnetization, heat capacity, and nuclear magnetic resonance (NMR) measurements on single crystals, combined with powder neutron diffraction ex ...

2017

Neutron spectroscopy in the layered quantum magnet SrCu₂(BO₃)₂ and in transition metal phosphorus trisulfides (MPS₃)

Diane Virginie Marie Lançon

Collective magnetic excitations are a fascinating aspect of condensed matter physics, where neutron scattering can provide valuable insight into the magnetic properties of physical realisations of model systems. This thesis focuses on the excitation spectr ...

EPFL2017

Exact diagonalization of SU( N ) Heisenberg and Affleck-Kennedy-Lieb-Tasaki chains using the full SU( N ) symmetry

Frédéric Mila, Pierre Marcel Nataf, Kianna Wan

We present a method for the exact diagonalization of the SU(N) Heisenberg interaction Hamiltonian using Young tableaus to work directly in each irreducible representation of the global SU(N) group. This generalized scheme is applicable to chains consisting ...

2017

Comprehensive modeling of the band gap and absorption spectrum of BiVO4

Alfredo Pasquarello, Francesco Ambrosio, Julia Anna Wiktor, Igor Reshetnyak

We present first-principles calculations of the electronic structure of BiVO4 at various levels of theory. In the calculations, we take into account a series of effects that affect the band gap, i.e., spin-orbit coupling, electron-hole interaction, nuclear ...

2017

Characterization of the Photochemical Properties of 5-Benzyluracil via Time-Dependent Density Functional Theory

Ursula Röthlisberger, Ivano Tavernelli, Sara Bonella, Basile Curchod, Mohammadhassan Valadan

We present a detailed study of the excited state properties of 5-benzyluracil (5BU) in the gas phase and in implicit solvent using different electronic structure approaches ranging from time-dependent density functional theory in the linear response regime ...

2017

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