Related papers: Materials with ZrCuSiAs Type Structure
Here we present neutron diffraction results on the mineral azurite. We have found that the crystal structure of azurite can be described in the space group $P2_1$ which is the next lower symmetric group of $P2_1/c$ as found in earlier work.…
A high-quality single crystal of Ce3Pt23Si11 has been grown using the Czochralski method. The crystal structure is presented and the chemical composition has been checked using an electron microprobe analyzer. Measurements of the electrical…
We report on the crystal structure, magnetic susceptibility, specific heat, electrical and thermoelectrical properties of AmPd5Al2, the americium counterpart of the unconventional superconductor NpPd5Al2. AmPd5Al2 crystallizes in the…
The crystal structures of the Sr1-xCaxRuO3 perovskites are investigated using both long range and local structural probes. High resolution synchrotron powder X-ray diffraction characterization at ambient temperature shows that the materials…
A geometrical interpretation of the $G$-structures associated to elastic material bodies is given. In addition, characterizations of their integrability are obtained. Since the lack of integrability is a geometrical measure of the lack of…
Many materials crystallize in structure types that feature a square-net of atoms. While these compounds can exhibit many different properties, some members of this family are topological materials. Within the square-net-based topological…
Here we highlight recent progress in the field of computational chemistry of nanoporous materials, focusing on methods and studies that address the extraordinary dynamic nature of these systems: the high flexibility of their frameworks, the…
We design two new I2-II-IV-VI4 quaternary semiconductors Cu$_2$ZnTiSe$_4$ and Cu$_2$ZnTiS$_4$, and systematically study the crystal and electronic structure by employing first-principles electronic structure calculations. Among the…
We define geometric crystals and unipotent crystals for arbitrary Kac-Moody groups and describe geometric and unipotent crystal structures on the Schubert varieties.
Predicting quasicrystal structures is a multifaceted problem that can involve predicting a previously unknown phase, predicting the structure of an experimentally observed phase, or predicting the thermodynamic stability of a given…
The design and synthesis of targeted functional materials have been a long-term goal for material scientists. Although a universal design strategy is difficult to generate for all types of materials, however, it is still helpful for a…
A detailed diffraction study of Ca10Cr7O28 is presented which adds significant new insights into the structural and magnetic properties of this compound. A new crystal structure type was used where the a and b axes are doubled compared to…
Superconductivity in materials whose crystal structure lacks inversion symmetry is a prime candidate for unconventional superconductivity. A new noncentrosymmetric compound Zr$_{3}$Ir crystallizes in a tetragonal $ \alpha $-V$_{3} $S…
A short introduction is given to astrophysics of neutron stars and to physics of dense matter in neutron stars. Observed properties of astrophysical objects containing neutron stars are discussed. Current scenarios regarding formation and…
The recent discovery of topological insulators has revived interest in the topological properties of insulating band structures. In this work, we extend the topological classification of insulating band structures to include certain point…
We systematically study the pristine and doped chromium arsenide (CrAs) in six different crystal structures to investigate the structural, magnetic, and optical properties for real applications by first-principles calculations. First, we…
Nature hosts a wealth of materials showcasing intricate structures intertwining order, disorder, and hierarchy, delivering resilient multifunctionality surpassing perfect crystals or simplistic disordered materials. The engineering of such…
The crystal structures and the physical (magnetic, electrical transport and thermodynamic) properties of the ternary compounds CeRhSi2 and Ce2Rh3Si5 (orthorhombic CeNiSi2- and U2Co3Si5-type structures, respectively) were studied in wide…
Zircon-type HoPO4 and TmPO4 have been studied by single-crystal x-ray diffraction and ab initio calculations. We report information on the influence of pressure on the crystal structure, and on the elastic and thermodynamic properties. The…
Review paper on computer simulations of the structure of amorphous silica.