Effects of pressure and/or magnetism on superconductivity of δ-MoN single crystal

Effects of pressure and/or magnetism on the critical superconducting temperature（Tc） of δ-Mo N single crystal were investigated using a Maglab system. The δ-Mo N single crystal was synthesized at extreme conditions of high pressure and high temperature. The carrier density of δ-Mo N single crystal as a function of applied pressure was determined using Hall coefficient measurement.

Coevolution of superconductivity and Hall coefficient with anisotropic lattice shrinkage in compressed KCa_(2)Fe_(4)As_(24F_(2)

The stability of superconductivity in superconductors is widely recognized to be determined by various factors,including charge,spin,orbit,lattice,and other related degrees of freedom.Here,we report our findings on the pressure-induced coevolution of superconductivity and Hall coefficient in KCa_(2)Fe_(4)As_(24F_(2),an iron-based superconductor possessing a hybrid crystal structure combining KFe_(2)As_(2) and CaFeAsF.Our investigation,involving high-pressure resistance,Hall effect and x-ray diffraction(XRD) measurements,allows us to observe the connection of the superconductivity and Hall coefficient with the anisotropic lattice shrinkage.We find that its ambient-pressure tetragonal(T) phase presents a collapse starting at around 18 GPa,where the sign of the Hall coefficient(R_(H)) changes from positive to negative.Upon further compression,both superconducting transition temperature(T_(c)) and R_(H) exhibit a monotonous decrease.At around 41 GPa,the superconductivity is completely suppressed(T_(c)=0),where the parameter a begins to decline again and the Hall coefficient remains nearly unchanged.Our experiment results clearly demonstrate that the pressure-induced anisotropic lattice collapse plays a crucial role in tuning the interplay among multiple degrees of freedom in the superconducting system and,correspondingly,the stability of the superconductivity.

Effect of pressure on electronic and thermoelectric properties of magnesium silicide: A density functional theory study

We study the effect of pressure on electronic and thermoelectric properties of Mg_2Si using the density functional theory and Boltzmann transport equations. The variation of lattice constant, band gap, bulk modulus with pressure is also analyzed. Further, the thermoelectric properties（Seebeck coefficient, electrical conductivity, electronic thermal conductivity） have been studied as a function of temperature and pressure up to 1200 K. The results show that Mg_2Si is an n-type semiconductor with a band gap of 0.21 eV. The negative value of the Seebeck coefficient at all pressures indicates that the conduction is due to electrons. With the increase in pressure, the Seebeck coefficient decreases and electrical conductivity increases. It is also seen that, there is practically no effect of pressure on the electronic contribution of thermal conductivity.The paper describes the calculation of the lattice thermal conductivity and figure of merit of Mg_2Si at zero pressure. The maximum value of figure of merit is attained 1.83 × 10^（-3） at 1000 K. The obtained results are in good agreement with the available experimental and theoretical results.

Pressure-dependent physical properties of cubic SrΒO3(Β=Cr,Fe)perovskites investigated by density functional theory

We perform the first-principles investigations of the structural,elastic,electronic,and optical properties of SrBO3(B=Cr,Fe)perovskites under pressure based on density functional theory(DFT).This is the first detailed pressure-dependent study of the physical properties for these compounds.The calculated structural parameters are consistent with the existing experimental results and slightly decrease with the application of pressure.The mechanical properties are discussed in detail and reveal that the SrCrO3 is harder than SrFeO3.Without pressure,these compounds behave like half-metals,confirmed by their band structure and density of states.Although the SrCrO3 retains its half-metallic nature under pressure,SrFeO3 becomes metallic for both up-spin and down-spin configuration.Both charge density and bond overlap population reveal the covalent nature of Cr–O bond and Fe–O bond in the studied compounds.The optical properties of SrBO3,also discussed for the first time,reveal some interesting results.

The Effect of Pressure on the Dissociation of H_2/CH_4Gas Mixture during Diamond Films Growth via Chemical Vapor Deposition

Monte Carlo simulations are adopted to study the electron motion in the mixture of H2 and CH4 during diamond synthesis via Glow Plasma-assisted Chemical Vapor Deposition (GPCVD). The non-uniform electric field is used and the avalanche of electrons is taken into account in this simulation. The average energy distribution of electrons and the space distribution of effective species such as CH3, CH+3, CH+ and H at various gas pressures are given in this paper, and optimum experimental conditions are inferred from these results.