Related papers: Ultrahigh Elastically Compressible and Strain-Engi…
Metastable alloys with transformation/twinning-induced plasticity (TRIP/TWIP) can overcome the strength-ductility trade-off in structural materials. Originated from the development of traditional alloys, the intrinsic stacking fault energy…
Materials with strong electronic correlations host remarkable -- and technologically relevant -- phenomena such as magnetism, superconductivity and metal-insulator transitions. Harnessing and controlling these effects is a major challenge,…
We report synthesis, crystal structure and superconductivity in ThCr2Si2-type LaFe2As2 (La122). La122 was synthesized at 960{\deg}C for 1.5 h under a pressure of 3.4 GPa. An as-synthesized La122 (non-superconductor) had a collapsed…
We report the successful growth of high-quality single crystals of potassium intercalated iron selenide KxFe2-ySe2 by Bridgeman method. The effect of iron vacancies on transport properties was investigated by electrical resistivity and…
Crystal structures and microstructural features, such as structural phase transitions, defect structures, chemical and structural inhomogeneities, are known to have profound effects on the physical properties of superconducting materials.…
Composite quantum compounds offer a fertile ground for uncovering the complex interrelations between seemingly distinct phenomena in condensed matter physics for advanced nonvolatile and spintronics applications. Beyond topological…
In this work the global and local mechanical properties of the magnetocaloric intermetallic LaFe11.2Si1.8 alloy are investigated by a combination of different testing and characterization techniques in order to shed light on the partly…
We have synthesized a quaternary fluoroarsenide SrFeAsF with the ZrCuSiAs-type structure (P4/nmm, a = 0.3999 and c = 0.8973 nm), which is composed of an alternately stacked (FeAs)- and (SrF)+ layers, analogous to the FeAs-based…
Controlling the bandgap through local-strain engineering is an exciting avenue for tailoring optoelectronic materials. Two-dimensional crystals are particularly suited for this purpose because they can withstand unprecedented…
We present uniaxial pressure structural relaxations for CaFe2As2 and BaFe2Ase2 within density functional theory and compare them with calculations under hydrostatic pressure conditions as well as available experimental results. We find that…
Metals have high electronic conductivities, but very low Seebeck coefficients, which traditionally make them unsuitable for thermoelectric materials. Recent studies, however, showed that metals can deliver ultra-high thermoelectric power…
Strain engineering is a powerful strategy for controlling the structural and electronic properties of two-dimensional materials, particularly in systems hosting charge density wave (CDW) order. In this work, we apply uniaxial tensile and…
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…
Strain engineering in single-layer semiconducting transition metal dichalcogenides aims to tune their bandgap energy and to modify their optoelectronic properties by the application of external strain. In this paper we study transition…
The effect of hydrostatic pressure on the electronic structures of iron pnictide superconducting compounds LiFeAs and NaFeAs through density functional theory based first principles studies are presented, using the predicted crystal…
Structural investigations by means of transmission electron microscopy (TEM) on KFexSe2 with 1.5 \leq x \leq 1.8 have revealed a rich variety of microstructure phenomena, the KFe1.5Se2 crystal often shows a superstructure modulation along…
The topological Weyl semimetal MoTe2, in the orthorhombic phase, is an important system both from the point of view of fundamental physics and potential applications. In this study we have investigated the elastic, electronic, bonding and…
TaSe$_3$ is a metallic layered material whose structure is built from TaSe$_3$ trigonal prismatic chains. In this work we report a first-principles density functional theory study of TaSe$_3$ single-layers and we find that, despite the…
Friction dissipates a substantial portion of global energy, motivating the pursuit of superlubricity, a state of near-zero friction, in real-world systems. Conventional approaches rely on crystalline lattice mismatch to suppress periodic…
In elemental metals the pairing of electrons leading to superconductivity is mediated by the vibrations of the crystal lattice and the pairs have spherical symmetry. For layered organic molecular crystals there is no consensus about the…