相关论文: Comparison of solid state crystallization of boron…

Interconnect materials with ultralow dielectric constant, and good thermal and mechanical properties are crucial for the further miniaturization of electronic devices. Recently, it has been demonstrated that ultrathin amorphous boron…

Ge2Sb2Te5 and related phase change materials are highly unusual in that they can be readily transformed between amorphous and crystalline states using very fast melt, quench, anneal cycles, although the resulting states are extremely long…

We examine the ultrafast optical response of the crystalline and amorphous phases of the phase change material Ge$_2$Sb$_2$Te$_5$ below the phase transformation threshold. Simultaneous measurement of the transmissivity and reflectivity of…

We present a joint theoretical and experimental study to investigate polymorphism in $\alpha$-sexithiophene (6T) crystals. By means of density-functional theory calculations, we clarify that the low-temperature phase is favorable over the…

We study hardcore bosons on a triangular ladder at half filling in the presence of a frustrating hopping term and a competing nearest neighbor repulsion $V$ which promotes crystallization. Using the finite-size density-matrix…

Elastic and structural properties of $\beta$-Ga$_2$O$_3$ and $\alpha$-Ga$_2$O$_3$ are investigated from first principles. The full elastic tensors and elastic moduli of both phases at $0$ K are computed in the framework of semi-local…

The cohesive energies and structural properties of recently predicted, and never synthesized, B$_2$O$_3$ polymorphs are investigated from first principles using density functional theory and high-accuracy many-body methods, namely, the…

We report on the phase behavior of an aqueous binary charged sphere suspension under exhaustively deionized conditions as a function of number fraction of small particles p and total number density n. The mixture of size ratio 0.557…

Chalcogenide phase-change materials (PCMs) show a significant contrast in optical reflectivity and electrical resistivity upon crystallization from the amorphous phase and are leading candidates for non-volatile photonic and electronic…

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…

Phase transitions in metastable $\alpha$-, $\kappa(\epsilon)$-, and $\gamma$-Ga$_2$O$_3$ films to thermodynamically stable $\beta$-Ga$_2$O$_3$ during annealing in air, N$_2$, and vacuum have been systematically investigated via in-situ…

The role of carbon in the formation of alpha boron at high pressure and high temperature (HPHT) has been investigated by combining HPHT experiments and density functional theory (DFT) calculations. Starting from beta rhombohedral or…

Conclusive crystal structure determination of the high pressure phases of hydrogen remains elusive due to lack of core electrons and vanishing wave vectors, rendering standard high-pressure experimental methods moot. Ab-initio DFT…

In this work, we have thoroughly studied the effects of flux composition and temperature on the crystal growth of the BaCu2As2 compound. While Pb and CuAs self-flux produce the well-known {\alpha}-phase ThCr2Si2-type structure (Z=2), a new…

We investigated the relative stability of the amorphous vs crystalline nanoparticles of size ranging between 0.8 and 1.8 nm. We found that, at variance from bulk systems, at low T small nanoparticles are amorphous and they undergo to an…

Two dimensional (2D) gamma-boron ({\gamma}-B28) thin films have been firstly reported by the experiments of the chemical vapor deposition in the latest study [Tai et al., Angew. Chem. Int. Ed. 54, 1-6 (2015)]. However, their mechanical…

We report a joint experimental and theoretical investigation of the high-pressure structural and vibrational properties of terbium sesquioxide (Tb2O3). Powder x-ray diffraction and Raman scattering measurements show that cubic (C-type)…

Here, we report that K-doped BaMn2Bi2 shows no experimental evidence of superconductivity down to 1.5 K under pressures up to 35.6 GPa, however, a tetragonal to an orthorhombic phase transition is observed at pressure of 20 GPa. Theoretical…

Under hydrostatic pressure, alpha-quartz undergoes solid-state mechanical amorphization wherein the interpenetration of SiO4 tetrahedra occurs and the material loses crystallinity. This phase transformation requires a high hydrostatic…

Analytical expressions of the wave functions are derived for a Bohr Hamiltonian with the Manning{Rosen potential in the cases of {\gamma}-unstable nuclei and axially symmetric prolate deformed ones with {\gamma}=0. By exploiting the results…