相关论文: Boron monosulfide: equation of state and pressure-…
The 300 K equation of state of cubic (zinc-blende) boron phosphide BP has been studied by in situ single-crystal X-ray diffraction with synchrotron radiation up to 55 GPa. The measurements have been performed under quasi-hydrostatic…
Compressibility of boron subphosphide B12P2 has been studied under quasi-hydrostatic conditions up to 26 GPa and 2600 K using laser-heated diamond anvil cell and angle-dispersive synchrotron X-ray diffraction. 300-K data fit yields the…
Raman spectra of rhombohedral boron monosulfide (r-BS) were measured under pressures up to 34 GPa at room temperature. No pressure-induced structural phase transition was observed, while strong pressure shift of Raman bands towards higher…
Compressibility of boron subarsenide B12As2 has been studied by synchrotron X-ray diffraction up to 47 GPa at room temperature in a diamond anvil cell using Ne pressure transmitting medium. A fit of experimental p-V data by Vinet equation…
New boron subnitride B50N2 has been synthesized by crystallization from the B-BN melt at 5 GPa, and its structure has been refined using Rietveld analysis. B50N2 crystallizes in the tetragonal space group P-4n2 with unit cell parameters a =…
Two novel of boron-rich selenides, orthorhombic B$_6$Se and rhombohedral B$_{12}$Se, have been recently synthesized at high pressure - high temperature conditions. Room-temperature compressibilities of these phases were studied in a diamond…
Two novel room-temperature phase transitions are observed, via synchrotron x-ray diffraction and Raman spectroscopy, in the Pb(Zr0.52Ti0.48)O3 alloy under hydrostatic pressures up to 16 GPa. A monoclinic (M)-to-rhombohedral (R1) phase…
High-temperature and high-pressure experiments were conducted on columbite-type ZnNb2O6, reaching temperatures up to 873 K at ambient pressure and pressures up to 30 GPa at ambient temperature, respectively. Through systematic analysis…
Cubic boron phosphide BP has been studied in situ by X-ray diffraction and Raman scattering up to 55 GPa at 300 K in a diamond anvil cell. The bulk modulus of B0 = 174(2) GPa has been established, which is in excellent agreement with our ab…
The high-pressure behaviour of PbS was investigated by angular dispersive X-ray powder diffraction up to pressures of 6.8 GPa. Experiments were accompanied by first principles calculations at the density functional theory level. By…
We report a joint experimental and theoretical study of the structural, vibrational, and electronic properties of layered monoclinic arsenic sulfide (alpha-As2S3), aka mineral orpiment, under compression. X-ray diffraction and Raman…
We report systematic investigation of high pressure crystal structures and structural phase transition upto 46 GPa in CaFeAsF and 40 GPa in SrFeAsF at 40 K using powder synchrotron x-ray diffraction experiments and Rietveld analysis of the…
Boron phosphide (BP) is a (super)hard semiconductor constituted of light elements, which is promising for high demand applications at extreme conditions. The behavior of BP at high temperatures and pressures is of special interest but is…
p-V-T equation of state of superhard boron suboxide B6O has been measured up to 6 GPa and 2700 K using multianvil technique and synchrotron X-ray diffraction. To fit the experimental data, the theoretical p-V-T equation of state has been…
Binary hydrides formed by the pnictogens of phosphorus, arsenic and antimony are studied at high pressures using first principles methods. Stable structures are predicted and their electronic, vibrational and superconducting properties are…
We study the structural evolution of Sr$_3$Ir$_2$O$_7$ as a function of pressure using x-ray diffraction. At a pressure of 54 GPa at room temperature, we observe a first-order structural phase transition, associated with a change from…
Through the use of perturbation theory, in this work we develop a method which allows for a substantial reduction in the size of the plane-wave basis used in density-functional calculations. This method may be used for both pseudopotentials…
Manganese, in the a-Mn structure, has been studied using synchrotron powder x-ray diffraction in a diamond anvil cell up to 220 GPa at room temperature combined with density functional calculations (DFT). The experiment reveals an extended…
In this paper we perform a high-pressure study of fergusonite-type HoNbO4. Powder x-ray diffraction experiments and ab initio density-functional theory simulations provide evidence of a phase transition at 18.9(1.1) GPa from the monoclinic…
We report results of ab initio constant-pressure molecular dynamics simulations of sulfur compression leading to structural transition and pressure-induced amorphization. Starting from the orthorhombic S-I phase composed of S$_8$ ring…