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The physicochemical behavior of elements and compounds is heavily altered by high pressure. The occurrence of pressure-induced reactions and phase transitions can be revealed by crystal structure prediction approaches. In this work, we…

Materials Science · Physics 2016-03-09 Gabriele Saleh , Artem R. Oganov

At high pressure, the typical behavior of elements dictated by the periodic table - including oxidation numbers, stoichiometries in compounds, and reactivity, to name but a few - is altered dramatically. As pressure is applied, the…

Materials Science · Physics 2022-05-11 Katerina P. Hilleke , Tiange Bi , Eva Zurek

The major chemical feature of an element is the number of electrons available for forming chemical bonds. A doctrine rooted in the atomic shell model states that the atoms will maintain a complete inner shell while interacting with other…

Materials Science · Physics 2015-06-12 Mao-sheng Miao

The high pressure structural properties of bismuth oxide Bi2SiO5 have been investigated up to 28 GPa using in situ powder synchrotron X-ray diffraction and up to 50 GPa with DFT calculations. The monoclinic structure is found to persist up…

The high pressure structural and electronic evolution of bulk MoS$_2$, an important transition metal layered dichalchogenide, is currently under active investigation. Recent theoretical and experimental work predicted and verified a 2H$_c…

Materials Science · Physics 2015-04-29 Oto Kohulák , Roman Martoňák , Erio Tosatti

Carbon disulfide, CS$_2$, is an archetypal double-bonded molecular system belonging to the rich class of group IV-group VI, AB$_2$ compounds. It is widely and since long time believed that upon compression at several GPa a polymeric chain…

High pressure effects on the superconducting transitions of beta-pyrochlore superconductors AOs2O6 (A = Cs, Rb, K) are studied by measuring resistivity under high pressures up to 10 GPa. The superconducting transition temperature Tc first…

Superconductivity · Physics 2009-11-11 T. Muramatsu , N. Takeshita , C. Terakura , H. Takagi , Y. Tokura , S. Yonezawa , Y. Muraoka , Z. Hiroi

An overview of the behavior of materials at high pressure is presented, starting from the effects on single atoms driving electronic transitions and changes in periodic trends. A range of high-pressure-induced phenomena in the solid state…

Materials Science · Physics 2023-01-04 Katerina P. Hilleke , Eva Zurek

Superconducting and structural phase transitions in a pyrochlore oxide Cd2Re2O7 are studied under high pressure by x-ray diffraction and electrical resistivity measurements. A rich P-T phase diagram is obtained, which contains at least two…

The behaviour of alkaline carbonates at high pressure is poorly understood. Indeed, theoretical and experimental investigations of general trends of pressure induced structural changes appear in the literature only sporadically. In this…

HCl, a 'textbook' example of a polar covalent molecule, is a well-known compound of hydrogen and chlorine. Inspired by the discovery of unexpected stable stoichiometries of sodium chlorides, we performed systematic searches for all stable…

Materials Science · Physics 2015-08-07 Qingfeng Zeng , Shuyin Yu , Duan Li , Gilles Frapper , Artem R. Oganov

Alkali halides $MX$, have been viewed as typical ionic compounds, characterized by 1:1 ratio necessary for charge balance between M$^+$ and X$^-$. It was proposed that group I elements like Cs can be oxidized further under high pressure.…

Materials Science · Physics 2019-01-03 Qiang Zhu , Artem R. Oganov , Qingfeng Zeng

Rattling-induced superconductivity in the {\beta}-pyrochlore oxide KOs2O6 is investigated under high pressure up to 5 GPa. Resistivity measurements in a high-quality single crystal reveal a gradual decrease in the superconducting transition…

Structural phase transitions often couple to magnetic and electronic degrees of freedom, enabling emergent phenomena in solids. In high-entropy oxides (HEOs), which typically stabilize in highly symmetric cubic phases, such transitions are…

The effects of pressure on the superconducting properties of a Bi-based layered superconductor La2O2Bi3Ag0.6Sn0.4S6, which possesses a four-layer-type conducting layer, have been studied through the electrical resistance and magnetic…

The pressure-dependent evolution of the spin crossover (SCO) transition has garnered significant interest due to its connection to the giant barocaloric effect (BCE) near room temperature. Pressure alters both the molecular and solid-state…

Materials Science · Physics 2025-10-09 S. Vela , J. Ribas-Ariño , S. P. Vallone , A. M. dos Santos , M. A. Halcrow , K. G. Sandeman

Experiments under hydrostatic and uniaxial pressure serve not only as a guide in the synthesis of materials with superior superconducting properties but also allow a quantitative test of theoretical models. In this chapter the pressure…

Superconductivity · Physics 2007-05-23 James S. Schilling

We report the results of the X-ray diffraction study of B2O3 glass in the pressure interval up to 10 GPa in the 300-700 K temperature range, the results of in-situ volumetric measurements of the glass at pressures up to 9 GPa at room…

Disordered Systems and Neural Networks · Physics 2008-07-19 V. V. Brazhkin , Y. Katayama , K. Trachenko , O. B. Tsiok , A. G. Lyapin , Emilio Artacho , M. Dove , G. Ferlat , Y. Inamura , H. Saitoh

The superconducting pyrochlore oxide Cd2Re2O7 (Tc = 1 K), which is now considered as a candidate of the spin-orbit-coupled metal, shows an inversion-symmetry-breaking structural transition at Ts1 = 200 K. Ts1 decreases with increasing…

Strongly Correlated Electrons · Physics 2018-04-30 Yasuhito Matsubayashi , Takumi Hasegawa , Norio Ogita , Jun-ichi Yamaura , Zenji Hiroi

Electronic properties of the metallic pyrochlore oxide Cd2Re2O7 are studied by means of electrical resistivity and Hall measurements. Semimetallic band structures are revealed as expected from band structure calculations. It is found that…

Strongly Correlated Electrons · Physics 2009-11-07 Z. Hiroi , M. Hanawa , Y. Muraoka , H. Harima
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