Related papers: Orbital reflectometry
Multi-orbital physics in quasi-two-dimensional electron gases (q2DEGs) triggers unique phenomena not observed in bulk materials, such as unconventional superconductivity and magnetism. Here, we investigate the mechanism of orbital selective…
The breaking of orbital degeneracy on a transition metal cation and the resulting unequal electronic occupations of these orbitals provide a powerful lever over electron density and spin ordering in metal oxides. Here, we show how to…
The accurate calculation of the (differential) correlation energy is central to the quantum chemical description of bond-formation and bond-dissociation processes. In order to estimate the quality of single- and multi-reference approaches…
X-ray linear dichroism has been pivotal for probing electronic anisotropies, but its inherent limited spatial resolution precludes atomic-scale investigations of orbital polarization. Here we introduce a versatile electron linear dichroism…
Soft X-ray resonant powder diffraction has been performed at the Mn L2,3 edges of A-site ordered SmBaMn2O6. The energy and polarization dependence of the (1/2 1/2 0) reflection provide direct evidence for a (x2-z2)/(y2-z2) type orbital…
A promising route to tailoring the electronic properties of quantum materials and devices rests on the idea of orbital engineering in multilayered oxide heterostructures. Here we show that the interplay of interlayer charge imbalance and…
A small percentage of dopant atoms can completely change the physical properties of the host material. For example, chemical doping controls the electronic transport behavior of semiconductors and gives rise to a wide range of emergent…
We investigate the spectral function of a hole moving in the orbital-ordered ferromagnetic planes of LaMnO$_3$, and show that it depends critically on the type of orbital ordering. While the hole does not couple to the spin excitations, it…
In this work, we investigate collective electronic fluctuations and, in particular, the possibility of the charge density wave ordering in an infinite-layer NdNiO$_2$. We perform advanced many-body calculations for the ab-initio…
Orbital degrees of freedom shape many of the properties of a wide class of Mott insulating, transition metal oxides with partially filled 3d-shells. Here we study orbital ordering transitions in systems where a single electron occupies the…
First-order structural phase transition is a common phenomenon in materials that qualitatively alters their physical properties. Yet, the abrupt first-order nature is usually unexplained by realistic computations, implying an omission of…
The atomic-level control achievable in artificially-structured oxide superlattices provides a unique opportunity to explore interface phases of matter including high-density 2D electron gases. Electronic-structure calculations show that the…
We found direct experimental evidence for an orbital switching in the V 3d states across the metal-insulator transition in VO$_{2}$. We have used soft-x-ray absorption spectroscopy at the V $L_{2,3}$ edges as a sensitive local probe, and…
2D materials hold transformative promise for next-generation nanoelectronics. However, successfully integrating these materials from laboratory-scale discoveries into real-world devices depends on precisely controlling their properties,…
We present evidence that the metal-insulator transition (MIT) in a tensile strained NdNiO3 (NNO) film is facilitated by a redistribution of electronic density and neither requires Ni charge disproportionation nor symmetry change [1, 2].…
Electrical manipulation of lattice, charge, and spin has been realized respectively by the piezoelectric effect, field-effect transistor, and electric field control of ferromagnetism, bringing about dramatic promotions both in fundamental…
We compare the effective spin-orbital super\-exchange triggered by magnetic $3d$ impurities with $d^3$ and $d^2$ configurations and either no orbital degree of freedom (orbital dilution) or hole replacing a doublon (charge dilution) in a…
Material properties depend sensitively on picometer scale atomic displacements introduced by local chemical fluctuations. Direct real-space, high spatial-resolution measurements of this compositional variation and corresponding distortion…
We investigate the evolution of polarized electronic Raman response in trilayer nickelate La$_4$Ni$_3$O$_{10}$, uncovering a systematic reduction of the incoherent electron continuum across the density wave transition in the $A_{1g}$ and…
A simplified tight-binding description of the electronic structure is often necessary for complex studies of surfaces of transition metal compounds. This requires a self-consistent parametrization of the charge redistribution, which is not…