相关论文: Stabilizing the Tb-based 214 cuprate by partial Pd…

Using evolutionary crystal structure prediction algorithm USPEX, we showed that at pressures of the Earth's lower mantle CaAl2O4 is the only stable calcium aluminate. At pressures above 7.0 GPa it has the CaFe2O4-type structure and space…

We propose a unified magnetic phase diagram of cuprate superconductors. A new feature of this phase diagram is a broad intermediate doping region of quantum-critical, $z=1$, behavior, characterized by temperature independent $T_1T/T_{\rm…

We report on the structure and physical properties of bulk Palladium Tellurium superconductor, which is synthesized via quartz vacuum encapsulation technique at 750 C. The as synthesized compound is crystallized in hexagonal crystal…

We map the high-pressure phase diagram of nitrogen hydrate up to 16 GPa at room temperature by combining neutron diffraction, Raman spectroscopy, and crystal structure prediction. We reveal a rich sequence of structural transformations,…

The phase diagram of the cuprate superconductors has posed a formidable scientific challenge for more than three decades. This challenge is perhaps best exemplified by the need to understand the normal-state charge transport as the system…

Due to a large discrepancy between theory and experiment, the electronic character of crystalline boron carbide B$_{13}$C$_{2}$ has been a controversial topic in the field of icosahedral boron-rich solids. We demonstrate that this…

The effect of disorder on the superconducting transition temperature $T_{c}$ of cuprate superconductors is examined. Disorder is introduced into the cation sites in the plane adjacent to the CuO$_{2}$ planes of two single-layer systems,…

In steels and single-crystal superalloys the control of the formation of topologically close-packed (TCP) phases is critical for the performance of the material. The structural stability of TCP phases in multi-component transition-metal…

In this research paper, we investigated the structural, electronic, and magnetic features of titanium atom substituting calciumatom in rock salt structure of CaS to explore the new dilute magnetic semiconductor compounds. The calculations…

e have investigated the magnetic properties of YbRu$_{2}$Ge$_{2}$ by means of magnetic susceptibility $\chi$(T), specific heat C(T) and electrical resistivity $\rho$(T) measurements performed on flux grown single crystals. The Curie-Weiss…

Charge-ordered ground states permeate the phenomenology of 3d-based transition metal oxides, and more generally represent a distinctive hallmark of strongly-correlated states of matter. The recent discovery of charge order in various…

First-principles calculations through a FLAPW-GGA method for six possible polymorphs of ruthenium mononitride RuN with various atomic coordination numbers CNs: cubic zinc blende (ZB) and cooperite PtS-like structures with CNs = 4; cubic…

The new perovskite cuprate material Sr$_{8}$CaRe$_{3}$Cu$_{4}$O$_{24}$, which behaves ferrimagnetically and shows an unusually high Curie temperature ($T_c \sim$ 440 K), is found from density-functional theory calculation to display several…

The optoelectronic properties of single- and double-wall carbon nanotubes (CNTs) noncovalently functionalized with tetraphenylporphyrins (TPPs) are addressed by dispersion-corrected ab initio calculations. Five CNT species with different…

The quasi-1D spin chain compound CuBr2 has been found to be multiferroic below TN (73.5K) under ambient pressure, in which the spontaneous electric polarization is induced by emerging spin spiral ordering propagating along b-axis. Herein we…

The last few years have seen significant experimental progress in characterizing the copper-based hole-doped high temperature superconductors in the regime of low hole density, p. Quantum oscillations, NMR, X-ray, and STM experiments have…

Herein, we report the discovery of a novel Gd-based magnetic compound GdPt$_2$B with a chiral crystal structure. X-ray diffraction and chemical composition analyses reveal a CePt$_2$B-type crystal structure (space group: $P6_422$) for…

A material called LK-99, a modified-lead apatite crystal structure with the composition Pb$_{10-x}$Cu$_x$(PO$_4$)$_6$O ($0.9<x<1.1$) has been reported to be an above-room-temperature superconductor at ambient pressure. It is hard to expect…

Exotic quantum phenomena often emerge near an electronic delocalization transition (EDT) from an antiferromagnetic insulating phase to a strongly correlated metallic state under pressure. We report the pressure-induced structural and…

Ordered intermetallics are long believed to be the final products of the aging of U-Nb solid solutions at low temperatures, a crucial property for the practical applications of this alloy in engineering and industry. However, such…