相关论文: Hole doping in compositionally complex correlated …

Filling-control metal-insulator transitions (MITs) and related electronic phase diagrams have been investigated for hole-doped vanadium oxides, Pr_{1-x}Ca_xVO_3, Nd_{1-x}Sr_xVO_3 and Y_{1-x}Ca_xVO_3, with perovskite structure. The increase…

We demonstrate the gate-tunability of the long-range magnetic order in a p-type V-doped WSe2 monolayer using ab initio calculations. We found that at a low V-doping concentration limit, the long-range ferromagnetic order is enhanced by…

Electronic structure calculations are used to examine the magnetic properties of Fe$_2$P-based alloys and the mechanisms through which the Curie temperature and magnetocrystalline anisotropy can be optimized for specific applications. It is…

Electron- and hole-doped La$_2$CoMnO$_6$(LCMO) are investigated using first principles DFT calculations. Hole and electron doping are achieved respectively by introducing Sr$^{2+}$ at La$^{3+}$ sites and by inducing O-site vacancies in…

Understanding the magnetic properties of the various Mn doping configurations that can be encountered in $2H$-MoS$_2$ monolayer could be beneficial for its use in spintronics. Using density functional theory plus Hubbard U (DFT$+$U)…

Control of intramolecular spin alignment is studied theoretically in a model of polyene-based molecular magnets in which delocalized $\pi$ electrons are coupled with localized radical spins. In a previous paper [Phys. Rev. Lett. 90 (2003)…

Resonant tunneling transport in polar heterostructures is intimately connected to the polarization fields emerging from the geometric Berry-phase. In these structures, quantum confinement results not only in a discrete electronic spectrum,…

We investigate how doping-induced small polarons impact the low-temperature multipolar orders of the $5d^2$ double perovskite Ba$_2$CaOsO$_6$. By computing intersite exchange interactions between 5d$^1$ localized hole polarons and 5d$^2$…

Hole doping in Nd${}_{2}$NiO${}_{4.00}$ can be either achieved by substituting the trivalent Nd atoms by bivalent alkaline earth metals or by oxygen doping, yielding Nd${}_{2}$NiO${}_{4+\delta}$. In this study, we investigated the interplay…

Structural phase transitions often couple to magnetic and electronic degrees of freedom, enabling emergent phenomena in solids. In high-entropy oxides (HEOs), which typically stabilize in highly symmetric cubic phases, such transitions are…

The last few decades has seen the rapid growth of interest in the bulk perovskite-type transition metal oxides SrVO$_3$ and SrTiO$_3$. The electronic configuration of these perovskites differs by one electron associated to the transition…

Strong magnetic field pulses associated with a relativistic electron bunch can imprint switching patterns in magnetic thin films that have uniaxial in-plane anisotropy. In experiments with Fe and FeCo alloy films the pattern shape reveals…

The properties of quantum systems interacting with their environment, commonly called open quantum systems, can be strongly affected by this interaction. While this can lead to unwanted consequences, such as causing decoherence in qubits…

High-temperature superconductivity (HTSC) mysteriously emerges upon doping holes or electrons into insulating copper oxides with antiferromagnetic (AFM) order. It has been thought that the large energy scale of magnetic excitations,…

Geometrically frustrated magnetism has attracted tremendous attention while chemical doping has been utilized as an important tool to probe frustrated magnetism in various systems. Here we perform a systematic study by doping non-magnetic…

This work investigates nematic fluctuations and electronic correlations in the hole-doped iron pnictide superconductor Ba$_{1-x}$K$_x$Fe$_2$As$_2$ by means of longitudinal and transverse elastoresistance measurements over a wide doping…

High-entropy alloy (HEA) is a family of metallic materials with nearly equal partitions of five or more metals, which might possess mechanical and transport properties that are different from conventional binary or tertiary alloys. In this…

Characterizing non-local magnetic fluctuations in materials with strong electronic Coulomb interactions remains one of the major outstanding challenges of modern condensed matter theory. In this work we address the spatial symmetry and…

Doping of strongly layered ionic oxides is an established paradigm for creating novel electronic behavior. This is nowhere more apparent than in superconductivity, where doping gives rise to high temperature superconductivity in cuprates…

The concept of spin-orbital entanglement on superexchange bonds in transition metal oxides is introduced and explained on several examples. It is shown that spin-orbital entanglement in superexchange models destabilizes the long-range (spin…