Chemically driven surface effects in polar intermetallic topological insulators A3Bi

Surface electronic spectra, surface and bulk properties as well as the underlying chemical bonding characteristics in topological insulators with complex bonding patterns are considered for the example of cubic, polar intermetallics KNa2Bi, K3Bi and Rb3Bi (with the general formula A3Bi, A – alkali metal).

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Effect of Chemical Bonding Characteristics on Ordering Structure in Li Spinel Oxides

Advanced Functional Materials ◽

10.1002/adfm.201805972 ◽

2018 ◽

Vol 29 (2) ◽

pp. 1805972 ◽

Cited By ~ 1

Author(s):

Hyewon Ryoo ◽

Sang-Gil Lee ◽

Jin-Gyu Kim ◽

Sung-Yoon Chung

Keyword(s):

Chemical Bonding ◽

Spinel Oxides ◽

Bonding Characteristics

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Gold’s Structural Versatility within Complex Intermetallics: From Hume-Rothery to Zintl and even Quasicrystals

MRS Proceedings ◽

10.1557/opl.2013.45 ◽

2013 ◽

Vol 1517 ◽

Cited By ~ 1

Author(s):

Gordon J. Miller ◽

Srinivasa Thimmaiah ◽

Volodymyr Smetana ◽

Andriy Palasyuk ◽

Qisheng Lin

Keyword(s):

Complex Networks ◽

Intermetallic Compounds ◽

Chemical Bonding ◽

Three Dimensional ◽

The Other ◽

Icosahedral Quasicrystal ◽

Bulk Solids ◽

Atomic Properties ◽

Polar Intermetallics ◽

Structural Versatility

ABSTRACTRecent exploratory syntheses of polar intermetallic compounds containing gold have established gold’s tremendous ability to stabilize new phases with diverse and fascinating structural motifs. In particular, Au-rich polar intermetallics contain Au atoms condensed into tetrahedra and diamond-like three-dimensional frameworks. In Au-poor intermetallics, on the other hand, Au atoms tend to segregate, which maximizes the number of Au-heteroatom contacts. Lastly, among polar intermetallics with intermediate Au content, complex networks of icosahedra have emerged, including discovery of the first sodium-containing, Bergman-type, icosahedral quasicrystal. Gold’s behavior in this metal-rich chemistry arises from its various atomic properties, which influence the chemical bonding features of gold with its environment in intermetallic compounds. Thus, the structural versatility of gold and the accessibility of various Au fragments within intermetallics are opening new insights toward elucidating relationships among metal-rich clusters and bulk solids.

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Structural and bonding characteristics of Ga-containing polar intermetallics

10.2172/1505170 ◽

2018 ◽

Author(s):

Asa Toombs

Keyword(s):

Polar Intermetallics ◽

Bonding Characteristics

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Multi-component molecular orbital study on positron attachment to alkali-metal hydride molecules: nature of chemical bonding and dissociation limits of [LiH; e+]

The European Physical Journal D ◽

10.1140/epjd/e2014-40708-4 ◽

2014 ◽

Vol 68 (8) ◽

Cited By ~ 6

Author(s):

Takayuki Oyamada ◽

Masanori Tachikawa

Keyword(s):

Alkali Metal ◽

Molecular Orbital ◽

Metal Hydride ◽

Chemical Bonding ◽

Molecular Orbital Study ◽

Orbital Study ◽

Alkali Metal Hydride

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Two-dimensional stoichiometric boron carbides with unexpected chemical bonding and promising electronic properties

Journal of Materials Chemistry C ◽

10.1039/c7tc04505k ◽

2018 ◽

Vol 6 (7) ◽

pp. 1651-1658 ◽

Cited By ~ 17

Author(s):

Dong Fan ◽

Shaohua Lu ◽

Yundong Guo ◽

Xiaojun Hu

Keyword(s):

Transition Temperature ◽

Electronic Properties ◽

Young’S Modulus ◽

Chemical Bonding ◽

Superconducting Transition Temperature ◽

Young's Modulus ◽

Two Dimensional ◽

Superconducting Transition ◽

Pyramidal Geometry ◽

Bonding Patterns

We identify two B–C bonding patterns: pyramidal-geometry tetra-coordinated and hexa-coordinated sp2carbon moiety; B4C3has an ultrahigh Young's modulus that can even outperform graphene; the B2C sheet is metallic with a relatively high superconducting transition temperature (Tc≈ 21.20 K).

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The electronic theory of the alloy systems composed of alkali metal elements. I. Bulk properties of CsK, CsRb, and RbK solid solutions

physica status solidi (b) ◽

10.1002/pssb.2221070240 ◽

1981 ◽

Vol 107 (2) ◽

pp. 761-768 ◽

Cited By ~ 16

Author(s):

T. Soma ◽

H. Matsuo ◽

Y. Kohbu

Keyword(s):

Alkali Metal ◽

Solid Solutions ◽

Bulk Properties ◽

Metal Elements ◽

Electronic Theory ◽

Alloy Systems

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Interionic potentials for the alkali metal chlorides

Canadian Journal of Chemistry ◽

10.1139/v76-552 ◽

1976 ◽

Vol 54 (24) ◽

pp. 3839-3849 ◽

Cited By ~ 22

Author(s):

J. Corish ◽

Brenda M. C. Parker ◽

P. W. M. Jacobs

Keyword(s):

Dielectric Properties ◽

Alkali Metal ◽

Alkali Halides ◽

Intrinsic Defect ◽

Alkali Metal Chlorides ◽

Metal Chlorides ◽

Bulk Properties ◽

Nearest Neighbours ◽

Interionic Potential ◽

Central Forces

Various models for the interionic potential in the alkali metal chlorides have been examined. The parameters in these potentials have been determined by fitting the equilibrium, elastic and dielectric properties of each substance. The potentials are compared graphically with each other, with the theoretically derived potentials of Kim and Gordon (1,2) and with a potential derived earlier by Catlow, Diller, and Norgett (3) by fitting the properties of sixteen alkali halides simultaneously. Intrinsic defect properties of the four chlorides have been calculated from these potentials. The results show that while it is possible to derive adequate two-body potentials for these salts from fitting their bulk properties, it is concluded, as found earlier by Catlow, Diller, and Norgett (3), that such potentials need to have the anion–cation interaction hardened by neglecting completely the Van der Waals interaction between nearest neighbours. Inclusion of non-central forces does not improve the potential, as judged by the criterion of the results of defect calculations.

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