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Pressure is a unique tuning parameter for probing the properties of materials and has been particularly useful for studies of electronic materials such as high-temperature cuprate superconductors. Here we report the effects of…

The make-up of the outer planets, and many of their moons, are dominated by matter from the H-C-N-O chemical space, commonly assumed to originate from mixtures of hydrogen and the planetary ices H$_2$O, CH$_4$, and NH$_3$. In their…

Materials Science · Physics 2020-11-30 Lewis J. Conway , Chris J. Pickard , Andreas Hermann

Alkali metals display unexpected properties at high pressure, including emergence of low symmetry crystal structures, that appear to occur due to enhanced electronic correlations among the otherwise nearly-free conduction electrons. We…

Strongly Correlated Electrons · Physics 2015-06-23 G. Fabbris , J. Lim , L. S. I. Veiga , D. Haskel , J. S. Schilling

Solid hydrogen sulfide is well known as a typical molecular crystal but its stability under pressure is still under debate. Particularly, Eremets et al. found the high pressure superconductivity with $T_{c}\approx$ 190 K in a H$_{2}$S…

Superconductivity · Physics 2015-05-20 Defang Duan , Xiaoli Huang , Fubo Tian , Da Li , Hongyu , Yu , Yunxian Liu , Yanbin Ma , Bingbing Liu , Tian Cui

High-pressure single-crystal x-ray diffraction experiments reveal that the superconducting kagome metal CsV$_3$Sb$_5$ transforms from hexagonal ($P6/mmm$) to monoclinic ($C2/m$) symmetry above 10 GPa if nonhydrostatic pressure conditions…

We systematically study the effect of high pressure on the structure, electronic structure and transport properties of 2H-MoS$_2$, based on first-principles density functional calculations and the Boltzmann transport theory. Our calculation…

Materials Science · Physics 2013-09-18 Huaihong Guo , Teng Yang , Peng Tao , Yong Wang , Zhidong Zhang

The magnetic ground state in the double perovskite system Sr2-xCaxCoOsO6 changes from an antiferromagnet (x = 0), to a spin glass (x = 1), to a ferrimagnet (x = 2) as the Ca content increases. This crossover is driven by chemical pressure…

Strongly Correlated Electrons · Physics 2015-09-28 Ryan Morrow , Jiaqiang Yan , Michael A. McGuire , John W. Freeland , Daniel Haskel , Patrick M. Woodward

At ambient pressure, sodium, chlorine, and their only known compound NaCl, have well-understood crystal structures and chemical bonding. Sodium is a nearly-free-electron metal with the bcc structure. Chlorine is a molecular crystal,…

In situ high pressure XRD diffraction and Raman spectroscopy have been performed on 12 nm CeO2 nanoparticles. Surprisingly, under quasihydrostatic condition, 12 nm CeO2 nanoparticles maintain the fluorite-type structure in the whole…

Materials Science · Physics 2015-06-15 Bo Liu , Ran Liu , Quan-Jun Li , Ming-Guang Yao , Bo Zou , Tian Cui , Bing-Bing Liu

Water and hydrogen at high pressure make up a substantial fraction of the interiors of giant planets. Using ab initio random structure search methods we investigate the ground-state crystal structures of water, hydrogen, and hydrogen-oxygen…

Materials Science · Physics 2013-02-01 Shuai Zhang , Hugh Wilson , Kevin Driver , Burkhard Militzer

We predict that simple metals and early transition metals that become superconducting under high pressures will show a change in sign of their Hall coefficient from negative to positive under pressure. If verified, this will strongly…

Superconductivity · Physics 2010-01-13 J. E. Hirsch , J. J. Hamlin

Under pressure, metals exhibit increasingly shorter interatomic distances. Intuitively, this response is expected to be accompanied by an increase in the widths of the valence and conduction bands and hence a more pronounced…

Materials Science · Physics 2017-10-16 Y. Ma , M. I. Eremets , A. R. Oganov , Y. Xie , I. Trojan , S. Medvedev , A. O. Lyakhov , M. Valle , V. Prakapenka

Old and novel layered structures are attracting increasing attention for their physical, electronic, and frictional properties. SiS$_2$, isoelectronic to SiO$_2$, CO$_2$ and CS$_2$, is a material whose phases known experimentally up to 6…

Chemical Physics · Physics 2016-09-13 Dušan Plašienka , Roman Martoňák , Erio Tosatti

Pressure as a clean and efficient tool can bring about unexpected extraordinary physical and chemical properties of matters. The recent discoveries of superconductivity at nearly room temperature in hydrides highlight the power of pressure…

Superconductivity · Physics 2022-08-22 Di Peng , Ren-Shu Wang , Li-Na Zong , Xiao-Jia Chen

Abundant evidence has shown the emergence of exotic chemical phenomena under pressure, including the formation of unexpected compounds and strange crystal structures. In many cases, there is no convincing explanation for these phenomena and…

Materials Science · Physics 2022-06-30 Xiao Dong , Artem R. Oganov , Haixu Cui , Xiang-Feng Zhou , Hui-Tian Wang

Two-dimensional electron systems with fascinating properties exist in multilayers of standard semiconductors, on helium surfaces, and in oxides. Compared to the two-dimensional (2D) electron gases of semiconductors, the 2D electron systems…

Strongly Correlated Electrons · Physics 2016-06-22 J. Zabaleta , V. S. Borisov , R. Wanke , H. O. Jeschke , S. C. Parks , B. Baum , A. Teker , T. Harada , K. Syassen , T. Kopp , N. Pavlenko , R. Valentí , J. Mannhart

Rattling-induced superconductivity in the beta-pyrochlore oxide RbOs2O6 is investigated under high pressures up to 6 GPa. Resistivity measurements in a high-quality single crystal show that the superconducting transition temperature Tc…

Superconductivity · Physics 2011-10-04 Nao Takeshita , Hiroki Ogusu , Jun-ichi Yamaura , Yoshihiko Okamoto , Zenji Hiroi

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…

Materials Science · Physics 2017-04-06 Kang Xia , Jian Sun , Chris J. Pickard , Dennis D. Klug , Richard J. Needs

Sodium chloride (NaCl), or rocksalt, is well characterized at ambient pressure. Due to the large electronegativity difference between Na and Cl atoms, it has highly ionic chemical bonding, with stoichiometry 1:1 dictated by charge balance,…

Pressure dependence of superconducting transition temperature $T_{\rm c}$ has been determined through the DC magnetic measurements under pressure up to $P$=10 GPa for $\beta$-pyrochlore oxides AOs$_2$O$_6$ with A=Cs ($T_{\rm c}$=3.3 K), Rb…

Superconductivity · Physics 2009-11-13 K. Miyoshi , Y. Takaichi , Y. Takamatsu , M. Miura , J. Takeuchi