相关论文: Structural stability of Fe5Si3 and Ni2Si studied b…
The structure of the quasi two dimensional heavy fermion antiferromagnet CeRhIn$_{5}$ has been investigated as a function of pressure up to 13 GPa using a diamond anvil cell under both hydrostatic and quasihydrostatic conditions at room…
Band structures of the pressure-induced, heavy-fermion superconductor Ce2Ni3Ge5 and its non-superconducting, mixed-valence isostructural (Ibam) counterpart Ce2Ni3Si5 have been calculated employing the full-potential local-orbital code. Both…
BaNi$_2$As$_2$, a non-magnetic superconductor counterpart to BaFe$_2$As$_2$, has been shown to develop nematic order, multiple charge orders, and a dramatic six-fold enhancement of superconductivity via isovalent chemical substitution of Sr…
On experimental side, BaFe$_2$As$_2$ without doping has been made superconducting by applying appropriate pressure (2-6 GPa). Here, we use a full-potential linearized augmented plane wave method within the density-functional theory to…
Magnetization, susceptibility, specific heat, resistivity, neutron and x-ray diffraction have been used to characterize the properties of single crystalline CaFe2-xNixAs2 as a function of Ni doping for x varying from 0 to 0.1. The combined…
The layered antiferromagnet FePS$_3$ has been shown to undergo a structural transition under pressure linked to an insulator-metal transition, with two incompatible models previously proposed for the highest-pressure structure. We present a…
Hydrogen sulfides have recently received a great deal of interest due to the record high superconducting temperatures of up to 203 K observed on strong compression of dihydrogen sulfide (H2S). A joint theoretical and experimental study is…
Structural phase transitions in $f$-electron materials have attracted sustained attention both for practical and basic science reasons, including that they offer an environment to directly investigate relationships between structure and the…
Nanolaminated materials exhibit characteristic magnetic, mechanical, and thermoelectric properties, with large contemporary scientific and technological interest. Here, we report on the anisotropic Seebeck coefficient in nanolaminated…
Solid-state systems whose properties at high pressure (exceeding 1 GPa) mimic those of MgSiO3 are of large importance in the study of the interior of planets. By means of Density Functional Theory (DFT) calculations we studied the high…
A15 Nb$_3$Si is, until now, the only high temperature superconductor produced at high pressure (~110 GPa) that has been successfully brought back to room pressure conditions in a metastable condition. Based on the current great interest in…
Silicate frameworks exhibit diverse structural responses under extreme conditions, which are strongly influenced by hydration. Here, we present a comparative high-pressure synchrotron X-ray diffraction study of Na2ZrSi2O7 and its hydrated…
Fe$_5$SiB$_2$ has been synthesized and magnetic measurements have been carried out, revealing that M$_{\text{sat}}$ = 0.92 MA/m at T = 300 K. The M vs T curve shows a broad peak around T = 160 K. The anisotropy constant, K$_1$, estimated at…
Old and novel layered structures are attracting increasing attention for their physical, electronic, and frictional properties. SiS$_2$, isoelectronic to SiO$_2$, CO$_2$ and CS$_2$, is a material whose phases known experimentally up to 6…
Using the ab initio approaches, the comparative stability, structural, elastic, and electronic properties of three polymorphs of the superconducting disilicide YIr2Si2, which differ in the atomic configurations of [Ir2Si2] (or [Si2Ir2])…
We have used density-functional-theory methods and the ab initio random structure searching (AIRSS) approach to predict stable structures and stoichiometries of mixtures of iron and oxygen at high pressures. Searching was performed for 12…
Non-metal nitrides are an exciting field of chemistry, featuring a significant number of compounds that can possess outstanding material properties. This characteristic relies on maximizing the number of strong covalent bonds, with…
The results of heat capacity C_p(T, H) and electrical resistivity \rho(T,H) measurements down to 0.35 K as well as muon spin relaxation and rotation (\muSR) measurements on a noncentrosymmetric superconductor LaIrSi3 are presented. Powder…
The short and medium range structure of a NaFeSi2O6 (NFS) glass has been investigated by high-resolution neutron diffraction with Fe isotopic substitution, combined with Empirical Potential Structure Refinement (EPSR) simulations. The…
In this chapter, we analyze the steady-state microscale fluid--structure interaction (FSI) between a generalized Newtonian fluid and a hyperelastic tube. Physiological flows, especially in hemodynamics, serve as primary examples of such FSI…