Publication

Electronic structure of KTi(SO4)(2)center dot H2O: An S=1/2 frustrated chain antiferromagnet

Publications associées (36)

Spin Textures in 2D Magnets

The continuous reduction of the structural size in nanotechnology slowed down over the last decade, approaching the natural limit of single atoms as building blocks of matter. Therefore, intensive research is directed toward exploring new frontiers, in par ...

EPFL2023

Murunskite - a new class of functional material

Davor Tolj

The subject of the present work is discovery and in-depth characterization of a new class of functional materials. Tuning of the bond polarity and orbital occupation with a goal of establishing balance between localization and delocalization of electrons - ...

EPFL2023

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Luca Binci

Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...

EPFL2023

Machine-learning the electronic density of states: electronic properties without quantum mechanics

Chiheb Ben Mahmoud

The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...

EPFL2023

SrCu2(BO3)(2) under pressure: A first-principles study

Frédéric Mila

Using density-functional theory (DFT) band-structure calculations, we study the crystal structure, lattice dynamics, and magnetic interactions in the Shastry-Sutherland magnet SrCu2(BO3)(2) under pressure, concentrating on experimentally relevant pressures ...

AMER PHYSICAL SOC2020

Structural Disorder and Magnetic Order in Atomically Thin Crystals

Michele Pizzochero

This Thesis is mainly devoted to the exploration of the structural disorder and magnetic order in two-dimensional crystals by means of first-principles methodologies. Firstly, we present a comparative study of defect formation in the semiconducting 2H and ...

EPFL2020

Learning the electronic density of states in condensed matter

Michele Ceriotti, Andrea Anelli, Chiheb Ben Mahmoud

AMER PHYSICAL SOC2020

Ferrimagnetic 120 degrees magnetic structure in Cu2OSO4

Henrik Moodysson Rønnow, Arnaud Magrez, Ivica Zivkovic, Nicola Casati, Helmuth Berger, Lin Yang, Gregory Scott Tucker, Virgile Yves Favre, Romain Sibille

We report magnetic properties of a 3d(9) (Cu2+) magnetic insulator Cu2OSO4 measured on both powder and single crystal. The magnetic atoms of this compound form layers whose geometry can be described either as a system of chains coupled through dimers or as ...

AMER PHYSICAL SOC2020

Calculated Drude weight and optical gap across the metal-insulator transition in the RVO3 series (R = Sr, Ca, La, Y)

We studied the changes in the optical properties of the RVO3 series (R = Sr, Ca, La, Y) using band structure calculations. These oxides present a transition from a non-magnetic metallic phase in SrVO3-CaVO3, to an antiferromagnetic insulator state in LaVO3 ...

SPRINGER2019

Reentrant magnetism at the borderline between long-range antiferromagnetic order and spin-glass behavior in the B-site disordered perovskite system Ca2-x SrxFeRuO6

Philip Pattison

We report on the coexistence of magnetic order and disorder in the atomically disordered double perovskites Ca2FeRuO6 and CaSrFeRuO6. Powder x-ray and neutron diffraction were used to investigate the crystal structure and magnetic ordering of these oxides. ...

AMER PHYSICAL SOC2018

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