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Related Concept Videos

Types Of Superconductors01:28

Types Of Superconductors

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A superconductor is a substance that offers zero resistance to the electric current when it drops below a critical temperature. Zero resistance is not the only interesting phenomenon as materials reach their transition temperatures. A second effect is the exclusion of magnetic fields. This is known as the Meissner effect. A light, permanent magnet placed over a superconducting sample will levitate in a stable position above the superconductor. High-speed trains that levitate on strong...
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A substance that reaches superconductivity, a state in which magnetic fields cannot penetrate, and there is no electrical resistance, is referred to as a superconductor. In 1911, Heike Kamerlingh Onnes of Leiden University, a Dutch physicist, observed a relation between the temperature and the resistance of the element mercury. The mercury sample was then cooled in liquid helium to study the linear dependence of resistance on temperature. It was observed that, as the temperature decreased, the...
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Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
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The alkali metal sodium (atomic number 11) has one more electron than the neon atom. This electron must go into the lowest-energy subshell available, the 3s orbital, giving a 1s22s22p63s1 configuration. The electrons occupying the outermost shell orbital(s) (highest value of n) are called valence electrons, and those occupying the inner shell orbitals are called core electrons. Since the core electron shells correspond to noble gas electron configurations, we can abbreviate electron...
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Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
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Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
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Superconductivity of cubic MB6 (M = Na, K, Rb, Cs).

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The Journal of Chemical Physics
|January 23, 2024
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Summary
This summary is machine-generated.

Cesium hexaboride (CsB6) is a superconductor with a critical temperature of 11.7 K at 0 GPa. Boron atoms are essential for superconductivity in Pm3̄m MB6 materials, including CsB6.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Chemistry

Background:

  • Previous studies identified superconductivity in NaB6, KB6, and RbB6 with the Pm3̄m structure.
  • Understanding the superconducting properties of related hexaborides is crucial for materials discovery.

Purpose of the Study:

  • To investigate the structural, electronic, and superconducting properties of CsB6 under varying pressures (0-20 GPa).
  • To elucidate the role of boron atoms in the superconductivity of Pm3̄m MB6 materials.

Main Methods:

  • Density functional theory (DFT) calculations.
  • Genetic evolution algorithm for structural prediction.
  • Total energy calculations.
  • Calculation of formation enthalpies, electronic properties, and electron-phonon coupling (EPC).

Main Results:

  • A dynamically stable cubic Pm3̄m CsB6 phase was identified under pressures up to 20 GPa.
  • All Pm3̄m MB6 (M = Na, K, Rb, Cs) compounds exhibit metallic characteristics.
  • Boron atoms significantly contribute to the electronic band structure, density of states, and EPC.
  • Pm3̄m CsB6 was predicted to be a superconductor with Tc = 11.7 K at 0 GPa.
  • Stability analysis confirmed Pm3̄m CsB6 is stable against chemical decomposition from 0 to 400 K.

Conclusions:

  • Boron atoms, particularly the vibrations of B6 octagons, are key to the high critical temperatures (Tc) in Pm3̄m MB6 superconductors.
  • This study provides valuable insights for the experimental synthesis of CsB6 and contributes to the understanding of group IA element borides.