Related papers: Thinning CsPb2Br5 Perovskite Down to Monolayers: C…
We explore from first-principles calculations the ferroelectric material Pb5Ge3O11 as a model for controlling the spin-orbit interaction (SOC) in crystalline solids. The SOC has a surprisingly strong effect on the structural energy…
"F-free" CeOBiS$_2$ single crystals have successfully grown, thoroughly eliminating a concern about F-contamination by using a high-purity CsCl flux. The obtained crystals have a plate-like shape with a size of 1.0-3.0 mm in the…
The layered perovskite YBaCuFeO5 (YBCFO) is able to adopt chiral magnetic order up to unexpectedly high temperatures, paving the way to strong magnetoelectric coupling at room temperature. In this perovskite A-site cations are fully ordered…
Hybrid Lead halide perovskites, despite having unique intrinsic properties with the possibility of flexible synthesis and device fabrication, still suffer from two fundamental issues, i.e. stability in external environment and toxicity due…
Filling the large voids in the crystal structure of the skutterudite CoSb$_3$ with rattler atoms $R$ provides an avenue for both increasing carrier concentration and disrupting lattice heat transport, leading to impressive thermoelectric…
Calcium silicate perovskite (CaSiO$_3$) is one of the major mineral components of the lower mantle, but has been the subject of relatively little work compared to the more abundant Mg-based materials. One of the major problems related to…
A new superconductor (Na0.25K0.45)Ba3Bi4O12, having an A-site-ordered double perovskite structure, with a maximum Tc ~ 27 K has very recently been discovered through hydrothermal synthesis at 593 K. The structural, elastic, electronic, and…
The single crystal growth and superconducting properties of PbTaSe2 with non-centrosymmetric crystal structure is reported. Using the chemical vapor transport (CVT) technique, PbTaSe2 crystallizes in a layered structure and the crystal…
Structural defects are important for both solid-state chemistry and physics, as they can have a significant impact on chemical stability and physical properties. Here, we identify a vacancyinduced pseudo-gap formation in antiferromagnetic…
The interest in perovskite nanocrystals (NCs) such as CsPbBr$_3$ for quantum applications is rapidly raising, as it has been demonstrated that they can behave as very efficient single photon emitters. The main problem to tackle in this…
Halide vacancies are the dominant point defects in perovskites with VCl identified as a detrimental trap for the optoelectronic performance of CsPbCl3, with applications ranging from photodetectors to solar cells. Understanding these…
Quasi-two-dimensional averievites with triangle-kagome-triangle trilayers are of interest due to their rich structural and magnetic transitions and strong spin frustration that are expected to host quantum spin liquid ground state with…
Iodide elpasolites (or double perovskites, A2B'B"I6, B' = M+, B" = M3+) are predicted to be promising alternatives to lead-based perovskite semiconductors for photovoltaic and optoelectronic applications, but no iodide elpasolite has ever…
Recently, replacing or mixing organic molecules in the hybrid halide perovskites with the inorganic Cs or Rb cations has been reported to increase the material stability with the comparable solar cell performance. In this work, we…
Lead-free double perovskite halides are emerging optoelectronic materials that are alternatives to lead-based perovskite halides. Recently, single-crystalline double perovskite halides were synthesized, and their intriguing functional…
Vacancy-ordered double perovskites K2SnX6 (X = I, Br, Cl) attract significant research interest due to their potential application as light-absorbing materials in perovskite solar cells. However, a deep insight into their material…
In this study, different electronic structure evolutions of perovskite single crystals are found via angle-resolved photoelectron spectroscopy (ARPES): (i) unchanged top valence band (VB) dispersions under different temperatures can be…
The magnetic susceptibility, crystal and magnetic structures, and electronic structure of double perovskite Sr2ScOsO6 are reported. Using both neutron and x-ray powder diffraction we find that the crystal structure is monoclinic P21/n from…
This paper comparatively investigates the structural and electronic properties of hybrid perovskites MAPbBr$_x$I$_{1-x}$ and SbH$_4$PbBr$_x$I$_{1-x}$ by means of DFT-based calculations. The main aim is to check if the increase in band gap…
Single crystals of BaRh_2As_2 have been synthesized from a Pb flux. We present the room temperature crystal structure, single crystal x-ray diffraction measurements as a function of temperature T, anisotropic magnetic susceptibility \chi…