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Investigations of clathrate structures have gained a new impetus with the recent discovery of room-temperature superconductivity in metal hydrides. Here we report the finding, through density functional theory calculations, of a clathrate…

We report a combined study of transport and thermodynamic measurements on the layered pnictide material SrAg4As2. Upon cooling, a drop in electrical and Hall resistivity, a jump in heat capacity and an increase in susceptibility and…

强关联电子 · 物理学 2018-12-19 Bing Shen , Eve Emmanouilidou , Xiaoyu Deng , Alix McCollam , Jie Xing , Gabriel Kotliar , Amalia I. Coldea , Ni Ni

Metastable vaterite crystals were synthesized by increasing the pH and consequently the saturation states of Ca and CO3 containing solutions using an ammonia diffusion method. SEM and TEM analyses indicate that vaterite grains produced by…

材料科学 · 物理学 2012-10-31 Qiaona Hu , Jiaming Zhang , Henry Teng , Udo Becker

Single crystalline Mn2-xFexBO4 with x = 0.3, 0.5, 0.7 grown by the flux method have been studied by means of X-ray diffraction and X-ray absorption spectroscopy at both Mn and Fe K edges. The compounds were found to crystallize in an…

We present a neutron scattering analysis of the density and the static structure factor of confined methanol at various temperatures. Confinement is performed in the cylindrical pores of MCM-41 silicates with pore diameters D=24 angstrom…

软凝聚态物质 · 物理学 2009-11-10 Denis Morineau , Regis Guegan , Yongde Xia , Christiane Alba-Simionesco

Li2FeSiO4 is an important alternative cathode for next generation Li-ion batteries due to its high theoretical capacity (330 mA h/g). However, its development has faced significant challenges arising from structural complexity and poor…

材料科学 · 物理学 2016-11-15 P. Vajeeston , H. Fjellvåg

Single Crystals of Nd$_{1-x}$Ca$_{1+x}$MnO$_{4}$ have been prepared by the travelling floating-zone method, and possible evidence of a charge -orbital density wave in this material presented earlier [PRB68,092405 (2003)] using High…

强关联电子 · 物理学 2009-11-11 Sher Alam , A. T. M. N. Islam , T. Nagai , M. Xu , Y. Matsui , I. Tanaka

The structure of graphite-like BCx phases (x = 1, 1.5, 3, 4, 32) has been studied using conventional X-ray diffraction. The results have been obtained, which unambiguously point to turbostratic (one- dimensionally disordered) structure of…

材料科学 · 物理学 2011-01-19 O. O. Kurakevych , T. Chauveau , V. L. Solozhenko

We present thermodynamic, structural and transport measurements on Ba(Fe0.973Cr0.027)2As2 single crystals. All measurements reveal sharp anomalies at ~ 112 K. Single crystal x-ray diffraction identifies the structural transition as a first…

材料科学 · 物理学 2009-07-28 S. L. Bud'ko , S. Nandi , N. Ni , A. Thaler , A. Kreyssig , A. Kracher , J. -Q. Yan , A. I. Goldman , P. C. Canfield

PtBi$_2$ is a polymorphic system with interesting electronic properties. Here we report optimized crystal growth and structural characterization of pyrite-type and trigonal modification of PtBi$_2$. Selected area electron diffraction, X-ray…

In this work the high pressure region of the phase diagram of water has been studied by computer simulation by using the TIP4P/2005 model of water. Free energy calculations were performed for ices VII and VIII and for the fluid phase to…

材料科学 · 物理学 2009-01-14 J. L. Aragones , M. M. Conde , E. G. Noya , C. Vega

In this research, we examine the electronic, magnetic, and lattice properties of the Fe$_4$(P$_2$O$_7$)$_3$ compound using the first principles calculations based on the density functional theory. The crystal lattice has a monoclinic…

材料科学 · 物理学 2025-03-20 Svitlana Pastukh , Pawel T. Jochym , Jan Lazewski , Dominik Legut , Przemyslaw Piekarz

Temperature-dependent electronic and magnetic properties are reported for a Z2 topological metal single-crystalline nickel-deficient NiV$_2$Se$_4$. It is found to crystallize in the monoclinic Cr3S4 structure type with space group I2=m.…

Complementary Neutron Spin Echo and X-ray experiments and Molecular Dynamics simulations have been performed on difluorotetrachloroethane (CFCl2-CFCl2) glassy crystal. Static, single-molecule reorientational dynamics and collective dynamics…

软凝聚态物质 · 物理学 2009-11-11 F. Affouard , E. Cochin , F. Danède , R. Decressain , M. Descamps , W. Haeussler

We report a study of the structural, magnetic, transport, and thermodynamic properties of polycrystalline samples of CeRhC$_2$. CeRhC$_2$ crystallizes in a tetragonal structure with space group $P4_1$ and it orders antiferromagnetically…

We report on the first successful growth of single crystals of the noncentrosymmetric superconductor Mo$_3$Al$_2$C obtained by means of a cubic-anvil, high-pressure and high-temperature technique. Composition, structure, and normal-state…

超导电性 · 物理学 2018-06-27 N. D. Zhigadlo , D. Logvinovich , R. S. Gonnelli , V. A. Stepanov , D. Daghero

Single crystal x-ray diffraction, magnetic susceptibility, heat capacity, and electrical resistivity measurements are reported for the new tetragonal compound Ce$_{2}$PdGe$_{3}$, which forms in the space group $P4_{2}/mmc$ (\#131) $-$ a…

强关联电子 · 物理学 2015-06-22 R. E. Baumbach , A. Gallagher , T. Besara , J. Sun , T. Siegrist , D. J. Singh , J. D. Thompson , F. Ronning , E. D. Bauer

BaFe2Se3 (Pnma, CsAg2I3-type structure), recently assumed to show superconductivity at ~ 11 K, exhibits a pressure-dependent structural transition to the CsCu2Cl3-type structure (Cmcm space group) around 60 kbar, as evidenced from…

The recent surge of interest in phase change materials GeTe, Ge$_2$Sb$_2$Te$_5$, and related compounds motivated us to revisit the structural phase transition in GeTe in more details than was done before. Rhombohedral-to-cubic ferroelectric…

材料科学 · 物理学 2015-03-19 Tapan Chatterji , C. M. N. Kumar , Urszula D. Wdowik

We report results from our experimental investigation of the distorted-kagome compound FeCrAs. For this work, we developed a procedure using tin metal as a flux to produce needlelike crystals. The crystals were characterized by single…

材料科学 · 物理学 2025-11-20 Michael A. McGuire , Matthew S. Cook , Brenden R. Ortiz , Jiaqiang Yan , Andrew F. May
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