Search Results - "Ashcroft, Neil"

The Chemical Imagination at Work in Very Tight Places by Grochala, Wojciech, Hoffmann, Roald, Feng, Ji, Ashcroft, Neil W.

“…Diamond‐anvil‐cell and shock‐wave technologies now permit the study of matter under multimegabar pressure (that is, of several hundred GPa). The properties of…”
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From Electrons and Nuclei to Assemblies of Correlated Atoms by Ashcroft, Neil W.

“…What constitutes an atom? The answer may depend on whether you ask a physicist or a chemist. But the complementary views lead to productive overlap in atomic…”
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Squeezing All Elements in the Periodic Table: Electron Configuration and Electronegativity of the Atoms under Compression by Rahm, Martin, Cammi, Roberto, Ashcroft, N. W, Hoffmann, Roald

“…We present a quantum mechanical model capable of describing isotropic compression of single atoms in a non-reactive neon-like environment. Studies of 93 atoms…”
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Monitoring the ionospheric conditions during the annular solar eclipse December 2019: A case study by Khamdan, Siti Syukriah, Musa, Tajul Ariffin, Buhari, Suhaila M., Hozumi, Kornayat, Ashcroft, Neil, Ahmad, Nashriq Ferdaus, Yatini, Clara

“…This study investigates the ionospheric response to the December 26, 2019 annular solar eclipse over the southern tip of the Asia region, focusing on Malaysia,…”
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Varying Electronic Configurations in Compressed Atoms: From the Role of the Spatial Extension of Atomic Orbitals to the Change of Electronic Configuration as an Isobaric Transformation by Cammi, Roberto, Rahm, Martin, Hoffmann, Roald, Ashcroft, N. W

“…A quantum chemical model for the study of the electronic structure of compressed atoms lends itself to a perturbation-theoretic analysis. It is shown, both…”
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From Electrons and Nuclei to Assemblies of Correlated Atoms by Ashcroft, Neil W.

“…Woraus besteht ein Atom? Die Antwort auf diese Frage könnte davon abhängen, ob man sie einem Physiker oder einem Chemiker stellt. Ihre gegensätzlichen…”
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The Unusual and the Expected in the Si/C Phase Diagram by Gao, Guoying, Ashcroft, N. W, Hoffmann, Roald

“…In the Si/C phase diagram, the only stable phases at P = 1 atm are the numerous polytypes of the simplest 1:1 stoichiometry, SiC. However, many metastable yet…”
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Theoretical study of the ground-state structures and properties of niobium hydrides under pressure by Gao, Guoying, Hoffmann, Roald, Ashcroft, N. W., Liu, Hanyu, Bergara, Aitor, Ma, Yanming

“…As part of a search for enhanced superconductivity, we explore theoretically the ground-state structures and properties of some hydrides of niobium over a…”
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From Wade–Mingos to Zintl–Klemm at 100 GPa: Binary Compounds of Boron and Lithium by Hermann, Andreas, McSorley, Alexandra, Ashcroft, N. W, Hoffmann, Roald

“…Structural diversity and a variety of bonding schemes emerge as characteristics of the Li–B phase diagram in this ground-state theoretical investigation. We…”
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Isotopic differentiation and sublattice melting in dense dynamic ice by Hermann, Andreas, Ashcroft, N. W., Hoffmann, Roald

“…The isotopes of hydrogen provide a unique exploratory laboratory for examining the role of zero point energy (ZPE) in determining the structural and dynamic…”
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Novel Si Networks in the Ca/Si Phase Diagram under Pressure by Gao, Guoying, Ashcroft, N. W, Miao, Maosheng, Hoffmann, Roald

“…The rich Ca/Si binary phase diagram is explored here theoretically and over a range of pressures, through four stoichiometries: Ca2Si, CaSi, CaSi2, and CaSi3…”
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Binary Compounds of Boron and Beryllium: A Rich Structural Arena with Space for Predictions by Hermann, Andreas, Ashcroft, N. W., Hoffmann, Roald

“…We explore ground‐state structures and stoichiometries of the BeB system in the static limit, with Be atom concentrations of 20 % or greater, and from P=1 atm…”
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Shocking states of matter by Hemley, Russell J, Ashcroft, Neil W

“…The metallization of a fluid state of hydrogen under shock compression has been reported and is discussed. Hydrogen atoms can collapse under extremes of…”
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Making Sense of Boron-Rich Binary Be–B Phases by Hermann, Andreas, Ashcroft, N. W, Hoffmann, Roald

“…There is much uncertainty in the literature about the structure of several Be–B phases between 20 and 33 atom % Be. We clarify the structural choices in this…”
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Graphane Nanotubes by Wen, Xiao-Dong, Yang, Tao, Hoffmann, Roald, Ashcroft, N. W, Martin, Richard L, Rudin, Sven P, Zhu, Jian-Xin

“…In this work, one-dimensional graphane nanotubes (GN, stoichiometry CH), built from 2D single-sheet graphanes, are explored theoretically. Zigzag type GN(10,0)…”
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From Electrons and Nuclei to Assemblies of Correlated Atoms by Ashcroft, Neil W

“…Woraus besteht ein Atom? Die Antwort auf diese Frage könnte davon abhängen, ob man sie einem Physiker oder einem Chemiker stellt. Ihre gegensätzlichen…”
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LiB and its boron-deficient variants under pressure by Hermann, Andreas, Suarez-Alcubilla, Ainhoa, Gurtubay, Idoia G., Yang, Li-Ming, Bergara, Aitor, Ashcroft, N. W., Hoffmann, Roald

“…Results of computational investigations of the structural and electronic properties of the ground states of binary compounds LiB sub(x) with 0.67 [< or =] x [<…”
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LiBeB: A predicted phase with structural and electronic peculiarities by Hermann, Andreas, Ivanov, B. L., Ashcroft, N. W., Hoffmann, Roald

“…Beginning an in-depth analysis of binaries and ternaries in the Li-Be-B system, we examine the static structures and electronic properties of LiBeB (i.e.,…”
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Solid state physics: çev. Neil W. Ashcroft, N. David Mermin by Ashcroft, Neil W, Mermin, N. David

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Lithium Amide (LiNH2) Under Pressure by Prasad, Dasari L. V. K, Ashcroft, N. W, Hoffmann, Roald

“…Static high pressure lithium amide (LiNH2) crystal structures are predicted using evolutionary structure search methodologies and intuitive approaches. In the…”
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