C. Ederer

collaborators

8 papers

cond-mat.str-el2026

Towards a unified first-principles-based description of VO $_{2}$ using DFT+DMFT with bond-centered orbitals

Peter Mlkvik, Nicola A. Spaldin, Claude Ederer

We present a combined density-functional theory and dynamical mean-field theory (DFT+DMFT) study of the full structural phase space of rutile-based vanadium dioxide (VO $_{2}$ ), inclu…

cond-mat.mtrl-sci2026

Quadrupole formation and coupling to magnetic and structural degrees of freedom in the $5 d^{1}$ double perovskites Ba $_{2}$ MgReO $_{6}$ and Ba $_{2}$ NaOsO $_{6}$

Francesco Martinelli, Claude Ederer

We investigate the interplay between charge, magnetic, and structural degrees of freedom in the isostructural and isoelectronic $5 d^{1}$ double-perovskites Ba $_{2}$ MgReO $_{6}$ and Ba $_{2}$ …

cond-mat.mtrl-sci2025

Multipoles as quantitative order parameters for altermagnetic spin splitting

Francesco Martinelli, Anouk Droux, Claude Ederer

We establish a quantitative relation between the altermagnetic spin-splitting and different higher order multipoles of the charge and magnetization density around the magnetic atom…

cond-mat.mtrl-sci2025

Oxygen vacancies in vanadium dioxide: A DFT $+ V$ study

Oskar Leibnitz, Peter Mlkvik, Nicola A. Spaldin +1

We present a density-functional theory study of the effects of oxygen vacancies on the structural and electronic properties of vanadium dioxide (VO $_{2}$ ). Our motivation is the repo…

cond-mat.mtrl-sci2025

(Anti-)Altermagnetism from Orbital Ordering in the Ruddlesden-Popper Chromates Sr $_{n + 1}$ Cr $_{n}$ O $_{3 n + 1}$

Quintin N. Meier, Alberto Carta, Claude Ederer +1

Altermagnets are collinear antiferromagnets with spin-split electronic states. We introduce Ruddlesden-Popper chromates Sr $_{n + 1}$ Cr $_{n}$ O $_{3 n + 1}$ (including SrCrO $_{3}$ ) as candidat…

cond-mat.mtrl-sci2025

Effects of strain on the stability of the metallic rutile and insulating M1 phases of vanadium dioxide

Peter Mlkvik, Lena Geistlich, Nicola A. Spaldin +1

We present a systematic density-functional theory study of the effects of strain on the structural and electronic properties in vanadium dioxide (VO $_{2}$ ), with particular emphasis…

Towards a unified first-principles-based description of VO2​ using DFT+DMFT with bond-centered orbitals

Quadrupole formation and coupling to magnetic and structural degrees of freedom in the 5d1 double perovskites Ba2​MgReO6​ and Ba2​NaOsO6​

Multipoles as quantitative order parameters for altermagnetic spin splitting

Oxygen vacancies in vanadium dioxide: A DFT+V study

(Anti-)Altermagnetism from Orbital Ordering in the Ruddlesden-Popper Chromates Srn+1​Crn​O3n+1​

Effects of strain on the stability of the metallic rutile and insulating M1 phases of vanadium dioxide

Towards a unified first-principles-based description of VO $_{2}$ using DFT+DMFT with bond-centered orbitals

Quadrupole formation and coupling to magnetic and structural degrees of freedom in the $5 d^{1}$ double perovskites Ba $_{2}$ MgReO $_{6}$ and Ba $_{2}$ NaOsO $_{6}$

Oxygen vacancies in vanadium dioxide: A DFT $+ V$ study

(Anti-)Altermagnetism from Orbital Ordering in the Ruddlesden-Popper Chromates Sr $_{n + 1}$ Cr $_{n}$ O $_{3 n + 1}$