Related papers: Structural and electronic properties of Sr2RuO4-Sr…
Manipulation of octahedral distortion at atomic length scale is an effective means to tune the physical ground states of functional oxides. Previous work demonstrates that epitaxial strain and film thickness are variable parameters to…
Recently discovered heavy fermion CeRh$_{2}$As$_{2}$ compound crystallizes in the nonsymmorphic $P4/nmm$ symmetry, which enables the occurrence of topological protection. Experimental results show that this material exhibits unusual…
We study the magnetic structure of the (LaMnO$_3$)$_{2n}$/(SrMnO$_3$)$_n$ superlattices from density-functional calculations. In agreement with the experiments, we find that the magnetism changes with the layer thickness `n'. The reason for…
Using projector augmented wave approach within the generalized gradient approximation, we have studied the structural property and electronic structure of ZrB12. The calculated lattice constants and bulk modulus are in good agreement with…
We present a systematic approach to modeling the electrical and structural properties of charge-mismatched superlattices from first principles. Our strategy is based on bulk calculations of the parent compounds, which we perform as a…
The experimental observation that vanadate superlattices (LaVO$_3$)$_m$/SrVO$_3$ show ferromagnetism up to room temperature [U.\ L\"uders {\it et al.}, Phys.\ Rev.\ B {\bf 80}, 241102R (2009)] is investigated by means of density functional…
The ability to manipulate two-dimensional (2D) electrons with external electric fields provides a route to synthetic band engineering. By imposing artificially designed and spatially periodic superlattice (SL) potentials, 2D electronic…
Superlattices of correlated oxides have been used to explore interfacial effects and to achieve additional control over the physical properties of individual constituents. In this work, we present a first-principles perspective of the…
The single crystal of RuAs obtained by Bi-flux method shows obvious successive metal-insulator transitions at T_MI1~255 K and T_MI2~195$ K. The X-ray diffraction measurement reveals a formation of superlattice of 3x3x3 of the original unit…
Polarized neutron reflectivity measurements of a ferromagnetic [(LaMnO$_3$)$_{11.8}$/(SrMnO$_3$)$_{4.4}$]$_6$ superlattice reveal a modulated magnetic structure with an enhanced magnetization at the interfaces where LaMnO$_3$ was deposited…
Effects of the band structure on the symmetry of superconducting (SC) states are studied. For a square lattice system with a nearest-neighbor attractive interaction, SC states with various symmetries are found by changing the band…
Oxide heterostructures exhibit a vast variety of unique physical properties. Examples are unconventional superconductivity in layered nickelates and topological polar order in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices. Although it is…
The discovery of superconductivity in La3Ni2O7 has attracted significant research interest in the field of nickelate superconductors. Despite extensive studies on pristine La3Ni2O7, the impact of oxygen vacancies (VO), a common type of…
LaNiO$_3$ (LNO) is an intriguing member of the rare-earth nickelates in exhibiting a metal-insulator transition for a critical film thickness of about 4 unit cells [Son et al., Appl. Phys. Lett. 96, 062114 (2010)]; however, such thin films…
New Fe-pnictide heterostructures of the type LnOFeAs/BaFe$_2$As$_2$ (Ln = La, Sm) were grown by pulsed laser deposition (PLD) and investigated. Their common structural unit of [Fe$_2$As$_2$] planes allows perfect matching between the…
The creation of moir\'e superlattices in twisted bilayers of two-dimensional crystals has been utilised to engineer quantum material properties in graphene and transition metal dichalcogenide (TMD) semiconductors. Here, we examine the…
By combining 5d transition-metal oxides showing pronounced spin-orbit interactions and oxide-based heterostructures, we propose rutile-based IrO2/TiO2 superlattices as promising candidates for unconventional electronic properties. By means…
We have investigated the magnetic response of La0.7Sr0.3MnO3/SrRuO3 superlattices to biaxial in-plane strain applied in-situ. Superlattices grown on piezoelectric substrates of 0.72PbMg1/3Nb2/3O3-0.28PbTiO3(001) (PMN-PT) show strong…
We report the Fermi surfaces of the superconductor Sr2RuO4 and the non-superconductor Sr1.8Ca0.2RuO4 probed by bulk-sensitive high-energy angle-resolved photoemission. It is found that there is one square-shaped hole-like, one square-shaped…
The electronic structure of interfaces between LaAlO$_3$ and SrTiO$_3$ is studied using local spin density approximation (LSDA) with intra-atomic Coulomb repulsion (LSDA+U). We find that the nature of the interface metallic states is…