Related papers: Stabilizing the Tb-based 214 cuprate by partial Pd…
As titanium is a highly utilized metal for structural light-weighting, its phases, transformation pathways (transition states), and structures have scientific and industrial importance. Impurities, pressure, and temperature control the…
LK-99, with chemical formula Pb$_{10-x}$Cu$_x$(PO4)$_6$O, was recently reported to be a room-temperature superconductor. While this claim has met with little support in a flurry of ensuing work, a variety of calculations (mostly based on…
High-temperature superconductivity has been discovered in La2-xBaxCuO4 [1], a compound that derives from the undoped La2CuO4 crystallizing in the perovskite T-structure. In this structure oxygen octahedra surround the copper ions. It is…
Recently low-temperature structural transition has been reported for complex cubic compounds Cd6M (M=Ca, Yb, Y, rare earth) and it is believed that the transition is due to orientational ordering of an atomic shell in the icosahedral…
The pressure-induced phase transition of bismuth telluride, Bi2Te3, has been studied by synchrotron x-ray diffraction measurements at room temperature using a diamond-anvil cell (DAC) with loading pressures up to 29.8 GPa. We found a…
In this letter, we describe the stabilization of indium antimonide (InSb) in the high-pressure orthorhombic phase (InSb-III) at ambient conditions. Until now, InSb-III has only been observed above 9 GPa, or at around 3 GPa as a metastable…
In the substitutionally disordered narrow-gap semiconductor Pb_{1-x}Ge_xTe, a finite-temperature cubic-rhombohedral transition appears above a critical concentration $x \approx 0.005$. As a first step towards a first-principles…
First-principles crystal structure search is performed to predict novel rubidium poly-nitrogen materials at high pressure by varying the stoichiometry, i. e. relative quantities of the constituent rubidium and nitrogen atoms. Three…
In our recent work\cite{Noh:2023zoq}, the mass and binding energy of $T_{cc}$ are found to be $3873$ MeV and $-2$ MeV, respectively, which align with the observations reported at LHCb\cite{LHCb:2021vvq}. Based on our latest quark model…
With the motivation of searching for new superconductors in the Mg-B system, we performed ab initio evolutionary searches for all the stable compounds in this binary system in the pressure range of 0-200 GPa. We found previously unknown,…
The temperature ($T$) as a function of pressure ($P$) phase diagram is reported for the cubic Laves phase compound Au$_2$Pb, which was recently proposed to support linearly dispersing "topological" bands, together with conventional…
Crystal structure prediction methods and first-principles calculations have been used to explore low-energy structures of carbon monoxide (CO). Contrary to the standard wisdom, the most stable structure of CO at ambient pressure was found…
We report superconductivity and magnetism in a new family of topological semimetals, the ternary half Heusler compounds $R$PdBi ($R$ : rare earth). In this series, tuning of the rare earth $f$-electron component allows for simultaneous…
We performed low-bias STM measurements on underdoped Bi2212 crystals, and confirmed that a two-dimensional (2D) superstructure with a periodicity of four lattice constants (4a) is formed within the Cu-O plane at T<Tc. This 4a X 4a…
We investigated the stability of polymeric CO2 over a wide range of pressures, temperatures, and chemical environments. We find that the I-42d polymeric structure, consisting of a three-dimensional network of corner sharing CO4 tetrahedra,…
In this work we present an experimental study of structure and phase stability in ternary Cu-Sn-In alloys around 55 at.% Cu in the temperature range 100^{\circ}C < T < 550^{\circ}C. We have followed in real-time the sequence of phase…
Using the apical oxygen doping mechanism, i.e. a partial substitution of divalence O for the monovalence Cl, a p-type oxychloride cuprate superconductor, Sr2CuO2+xCl2-y, was synthesized at high pressure high temperature. The x-ray…
The temperature dependence of the resistivity r(T) of the novel Sr2.5Ca11.5Cu24O41 ladder compound under hydrostatic pressure of up to 8 GPa has been explained by assuming that the relevant length scale for electrical transport is given by…
The phase purity and crystal structure of PLTA samples (synthesized via sol-gel process) were confirmed using synchrotron x-ray powder diffraction (wavelength, lmbda= 0.44573 A. Rietveld analyses of powder x-ray diffraction data confirmed…
Structural and magnetic properties of the CoMn$_{0.88}$Cu$_{0.12}$Ge compound have been investigated using X-ray diffraction (XRD) and differential scanning calorimetry (DSC) accompanied with investigation of magnetic properties under…