Related papers: Efficient magnetic superstructure optimization wit…
We investigate the spin-density wave (SDW) behavior and the potential for superconductivity (SC) in La$_4$Ni$_3$O$_{10}$ under ambient pressure using a multi-orbital random-phase approximation (RPA). Starting with a twelve-orbital…
The spin density wave (SDW) state of the uniform electron gas is investigated in the exact exchange approximation of noncollinear spin density functional theory (DFT). Unlike in Hartree-Fock theory, where the uniform paramagnetic state of…
Recent experimental advances in ultrafast science put different processes occurring on the electronic timescale below a few femtoseconds in focus. In the present theoretical work, we demonstrate how the transformation and propagation of the…
We introduce an efficient finite-element approach for large-scale real-space pseudopotential density functional theory (DFT) calculations incorporating noncollinear magnetism and spin-orbit coupling. The approach, implemented within the…
We report an excellent realization of the highly non-classical incommensurate spin-density wave (SDW) state in the quantum frustrated antiferromagnetic insulator Cs$_2$CoBr$_4$. In contrast to the well-known Ising spin chain case, here the…
Spin waves in (0,pi) and (0,pi,pi) ordered spin-density-wave (SDW) states of the t-t' Hubbard model are investigated at finite doping. In the presence of small t', these composite ferro-antiferromagnetic (F-AF) states are found to be…
Angle-resolved photoemission (PE) was used to characterize the spin-density wave (SDW) state in thin films of Cr grown on W(110). The PE data were analysed using results of local spin density approximation layer-Korringa-Kohn-Rostoker…
Imaginary-time time-dependent Density functional theory (it-TDDFT) has been proposed as an alternative method for obtaining the ground state within density functional theory (DFT) which avoids some of the difficulties with convergence…
The investigation of magnetic energy landscapes and the search for ground states of magnetic materials using ab initio methods like density functional theory (DFT) is a challenging task. Complex interactions, such as superexchange and…
We introduce a method based on semidefinite programming that produces rigorous two-sided bounds on ground state energy densities and correlation functions of translation-invariant classical spin models on infinite lattices. In this method,…
In the conventional theory of density wave ordering in metals, the onset of spin density wave (SDW) order co-incides with the reconstruction of the Fermi surfaces into small 'pockets'. We present models which display this transition, while…
The dielectric response function and its inverse are crucial physical quantities in materials science. We propose an accurate and efficient strategy to invert the dielectric function matrix. The GW approximation, a powerful approach to…
The reconstruction of the exchange-correlation potential from accurate ab initio electron densities can provide insights into the limitations of the currently available approximate functionals and provide guidance for devising improved…
We argue that salient experimental features of the magnetic excitations in the SDW phase of iron-based superconductors can be understood within an itinerant model. We identify a minimal itinerant model and use a multi-band RPA treatment of…
We consider random transverse-field Ising spin chains and study the magnetization and the energy-density profiles by numerically exact calculations in rather large finite systems ($L\le 128$). Using different boundary conditions (free,…
The interfacial Dzyaloshinksii-Moriya interaction (iDMI) is of great interest in thin-film magnetism because of its ability to stabilize chiral spin textures. It can be quantified by investigating the frequency non-reciprocity of oppositely…
Describing and achieving `unconventional' superconductivity remains a forefront challenge in quantum many-body physics. Here we use a unitary mapping, combined with the well-established properties of the attractive Hubbard model to…
We have developed a new method to derive the magnetic field distribution on the surfaces of rotating magnetic white dwarfs from phase-resolved flux and circular polarization spectra. An optimization code based on an evolutionary strategy is…
A large anti-damping spin-obit torque (SOT) efficiency in magnetic heterostructures is a prerequisite to realize energy efficient spin torque based magnetic memories and logic devices. The efficiency can be characterized in terms of the…
We analyze spin density wave (SDW) order in iron-based superconductors and electronic structure in the SDW phase. We consider an itinerant model for Fe-pnictides with two hole bands centered at $(0,0)$ and two electron bands centered at…