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Superconductor01:24

Superconductor

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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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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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Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
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The conduction of free electrons inside a conductor is best described by quantum mechanics. However, a classical model makes predictions close to the results of quantum mechanics. It is called the theory of metallic conduction.
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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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Tetrahedral Complexes
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Pressure induced superconductive 10-fold coordinated TaS2: a first-principles study.

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Under pressure, layered 1T-TaS2 transforms into new phases. Lone pair electrons activate, forming 3D covalent bonds and retaining superconductivity up to 9K at 100 GPa.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Solid-State Chemistry

Background:

  • Transition metal dichalcogenides (TMDs) exhibit unique electronic and structural properties.
  • 1T-TaS2 is a representative TMD with a layered structure.
  • Understanding pressure-induced phase transitions is crucial for novel material applications.

Purpose of the Study:

  • Investigate the structural transformations of 1T-TaS2 under hydrostatic pressure.
  • Analyze the changes in electronic states and chemical bonding.
  • Explore the pressure-dependent superconductivity in 1T-TaS2.

Main Methods:

  • Crystal structure prediction using computational methods.
  • First-principles calculations to determine electronic states and bonding.
  • Analysis of phase stability and electronic band structure.

Main Results:

  • 1T-TaS2 transforms sequentially to monoclinic C2/m and tetragonal I4/mmm phases under pressure.
  • Pressure activates sulfur lone pair electrons, enabling 3D covalent bonding with tantalum.
  • Superconductivity persists in the I4/mmm phase with a critical temperature of 9K at 100 GPa.

Conclusions:

  • Hydrostatic pressure induces significant structural and electronic changes in 1T-TaS2.
  • The activation of sulfur lone pairs is key to forming high-pressure 3D covalent structures.
  • 1T-TaS2 remains a superconductor at high pressures, offering potential for cryogenic applications.