Pressure-Stabilized Superconductive Ionic Tantalum Hydrides.

Title Pressure-Stabilized Superconductive Ionic Tantalum Hydrides.
Authors Q. Zhuang; X. Jin; T. Cui; Y. Ma; Q. Lv; Y. Li; H. Zhang; X. Meng; K. Bao
Journal Inorg Chem
DOI 10.1021/acs.inorgchem.6b02822
Abstract

High-pressure structures of tantalum hydrides were investigated over a wide pressure range of 0-300 GPa by utilizing evolutionary structure searches. TaH and TaH2 were found to be thermodynamically stable over this entire pressure range, whereas TaH3, TaH4, and TaH6 become thermodynamically stable at pressures greater than 50 GPa. The dense Pnma (TaH2), R3?m (TaH4), and Fdd2 (TaH6) compounds possess metallic character with a strong ionic feature. For the highly hydrogen-rich phase of Fdd2 (TaH6), a calculation of electron-phonon coupling reveals the potential high-Tc superconductivity with an estimated value of 124.2-135.8 K.

Citation Q. Zhuang; X. Jin; T. Cui; Y. Ma; Q. Lv; Y. Li; H. Zhang; X. Meng; K. Bao.Pressure-Stabilized Superconductive Ionic Tantalum Hydrides.. Inorg Chem. 2017;56(7):39013908. doi:10.1021/acs.inorgchem.6b02822

Related Elements

Tantalum

See more Tantalum products. Tantalum (atomic symbol: Ta, atomic number: 73) is a Block D, Group 5, Period 6 element with an atomic weight of 180.94788. Tantalum Bohr ModelThe number of electrons in each of tantalum's shells is [2, 8, 18, 32, 11, 2] and its electron configuration is [Xe] 4f14 5d3 6s2. The tantalum atom has a radius of 146 pm and a Van der Waals radius of 217 pm. High Purity (99.999%) Tantalum (Ta) MetalTantalum was first discovered by Anders G. Ekeberg in 1802 in Uppsala, Sweden however, it was not until 1844 when Heinrich Rose first recognized it as a distinct element. In its elemental form, tantalum has a grayish blue appearance. Tantalum is found in the minerals tantalite, microlite, wodginite, euxenite, and polycrase. Due to the close relation of tantalum to niobium in the periodic table, Tantalum's name originates from the Greek word Tantalos meaning Father of Niobe in Greek mythology.

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