相关论文: Complex structure due to As bonding and interplay …
Nematic phase transitions in high-temperature superconductors have a strong impact on the electronic properties of these systems. BaFe$_2$As$_2$,\@ with an established nematic transition around 137 K induced by magnetic fluctuations, and…
The effects of internal chemical pressure on electron doped iron arsenide superconductors are studied in the series Ba(Fe(1-y)Coy)2(As(1-x)Px)2. Combinations of both dopants induce superconductivity also in such areas where only one would…
The electronic structure of the nanolaminated transition metal carbide Ti2AlC has been investigated by bulk-sensitive soft x-ray emission spectroscopy. The measured Ti L, C K and Al L emission spectra are compared with calculated spectra…
The electronic structure and intrinsic magnetic properties of $\text{Fe}_2\text{AlB}_2$-related compounds and their alloys have been investigated using density functional theory. For $\text{Fe}_2\text{AlB}_2$, the crystallographic $a$ axis…
Compounds with a tetragonal ThCr$_{2}$Si$_{2}$-type structure are characterized by the possibility of the isostructural phase transition from the tetragonal phase to the collapsed tetragonal phase induced by the external pressure. An…
Layered materials span a very broad range of solids ranging from van der Waals materials to highly complex crystal structures such as clays. They are commonly believed to have highly anisotropic properties, which is essentially attributed…
The newly discovered BaPt$_2$As$_2$ shows a structural distortion at around 275~K, followed by the emergence of superconductivity at lower temperatures. Here we identify the presence of charge density wave (CDW) order at room temperature…
By interpreting various experimental data for the new high temperature FeAs type superconductors in terms of lattice mediated multi gap superconductivity, it is shown that these systems strongly resemble MgB2, however, with the distinction…
The optical properties of YNi$_2$B$_2$C are studied by using the first-principles full-potential linearized augmented plane wave (FLAPW) method within the local density approximation. Anisotropic behavior is obtained in the optical…
We report on doping dependencies of structural parameters and superconducting transition temperatures in the solid solution (Ba1-xKx)Fe2As2. As the main effect of doping on the crystal structure, we find linear decreasing As-Fe-As bond…
NaSn2P2 is a recently discovered superconducting system belonging to a particular class of materials with van der Waals structure. There is enormous interest in such compounds because of their intriguing electrical, optical, chemical,…
High-resolution scanning tunneling microscopy (STM) measurements on BaFe2As2-one of the parent compounds of the iron-based superconductors-reveals a (1x1) As-terminated unit cell on the (001) surface. However, there are significant…
The chromium arsenides BaCr2As2 and BaCrFeAs2 with ThCr2Si2 type structure (space group I4/mmm; also adopted by '122' iron arsenide superconductors) have been suggested as mother compounds for possible new superconductors. DFT-based…
We study the temperature and pressure dependence of the structural and electronic properties of the iron pnictide superconductor BaFe2As2. We use density functional theory based Born-Oppenheimer molecular dynamics simulations to investigate…
The effect of uniaxial tensile stress and the resultant strain on the structural/magnetic transition in the parent compound of the iron arsenide superconductor, BaFe$_2$As$_2$, is characterized by temperature-dependent electrical…
Misfit compounds are thermodynamically stable stacks of two-dimensional materials, forming a three-dimensional structure that remains incommensurate in one direction parallel to the layers. As a consequence, no true bonding is expected…
Iron-based high temperature superconductivity develops when the `parent' antiferromagnetic/orthorhombic phase is suppressed, typically by introduction of dopant atoms. But their impact on atomic-scale electronic structure, while in theory…
In the iron arsenide compound BaFe2As2, superconductivity can be induced either by a variation of its chemical composition, e.g., by replacing Fe with Co, or by a reduction of the unit-cell volume through the application of hydrostatic…
Recently reported quasiparticle interference imaging in underdoped Ca(Fe{1-x}Co{x})_2As{2} shows pronounced C{2} asymmetry that is interpreted as an indication of an electronic nematic phase with a unidirectional electron band, dispersive…
Amongst the iron-based superconductors, LiFeAs is unrivalled in the simplicity of its crystal structure and phase diagram. However, our understanding of this canonical compound suffers from conflict between mutually incompatible…