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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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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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NMR Spectroscopy: Spin–Spin Coupling01:08

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The spin state of an NMR-active nucleus can have a slight effect on its immediate electronic environment. This effect propagates through the intervening bonds and affects the electronic environments of NMR-active nuclei up to three bonds away; occasionally, even farther. This phenomenon is called spin–spin coupling or J-coupling. Coupling interactions are mutual and result in small changes in the absorption frequencies of both nuclei involved. While nuclei of the same element are involved...
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π Electron Effects on Chemical Shift: Overview01:27

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An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0,...
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Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

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Coupling interactions are strongest between NMR-active nuclei bonded to each other, where spin information can be transmitted directly through the pair of bonding electrons. While nuclei polarize their electrons to the opposite spins, the bonding electron pair has opposite spins. Configurations with antiparallel nuclear spins are expected to be lower in energy. When coupling makes antiparallel states more favorable, J is considered to have a positive value. The one-bond coupling constant, 1J,...
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Atomic Nuclei: Nuclear Spin State Population Distribution01:14

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Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
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Anisotropy and isotope effect in superconducting solid hydrogen.

Mehmet Dogan1,2,3, James R Chelikowsky1,4,5, Marvin L Cohen2,3

  • 1Center for Computational Materials, Oden Institute for Computational Engineering and Sciences, University of Texas at Austin, Austin, TX 78712, United States of America.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|September 26, 2023
PubMed
Summary
This summary is machine-generated.

Investigating solid hydrogen at high pressures reveals its metallic and superconducting potential. Anharmonic effects influence the isotope effect, with the C2/c-24 phase of deuterium showing strong agreement with recent experiments.

Keywords:
deuteriumfirst-principleshigh-pressurehydrogenisotope effectsuperconductivity

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Area of Science:

  • Condensed matter physics
  • Materials science
  • Quantum mechanics

Background:

  • Solid hydrogen's phase diagram and metallization at high pressures are key research areas.
  • Previous studies proposed metallic states and high superconducting transition temperatures for solid hydrogen.
  • Recent experiments at 400-500 GPa provide insights into hydrogen's metallic behavior.

Purpose of the Study:

  • To investigate the superconducting properties of candidate solid hydrogen phases, considering anisotropy and anharmonic effects.
  • To determine the effects of anharmonicity on the isotope effect in different hydrogen crystal phases.
  • To compare computational results with experimental data for deuterium under high pressure.

Main Methods:

  • Utilizing Eliashberg theory to calculate superconducting properties.
  • Incorporating anharmonic effects into theoretical models.
  • Investigating the isotope effect by studying deuterium properties.
  • Comparing theoretical predictions with experimental findings.

Main Results:

  • Anharmonicity diminishes the isotope effect in the C2/c-24 and Cmca-12 phases, but enlarges it in the Cmca-4 and I4-2 phases.
  • Anharmonic calculations for deuterium in the C2/c-24 phase closely match recent experimental results.
  • The C2/c-24 phase exhibits strong anharmonic characteristics, making it a leading candidate in the studied pressure range.

Conclusions:

  • The C2/c-24 phase of deuterium, with its significant anharmonicity, aligns well with experimental data, reinforcing its status as a key phase.
  • Understanding superconductivity in pure hydrogen is crucial for advancing the study of high-temperature hydrides.
  • Anharmonic effects play a critical role in distinguishing between different crystal phases of solid hydrogen experimentally.