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Related Concept Videos

Metallic Solids02:37

Metallic Solids

18.6K
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.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
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Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

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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.
CFT focuses on...
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Ionic Crystal Structures02:42

Ionic Crystal Structures

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Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
14.6K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

43.7K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
43.7K
Molecular and Ionic Solids02:54

Molecular and Ionic Solids

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Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Two-dimensional Janus Si dichalcogenides: a first-principles study.

San-Dong Guo1, Xu-Kun Feng2, Yu-Tong Zhu1

  • 1School of Electronic Engineering, Xi'an University of Posts and Telecommunications, Xi'an 710121, China. sandongyuwang@163.com.

Physical Chemistry Chemical Physics : PCCP
|January 4, 2023
PubMed
Summary
This summary is machine-generated.

Researchers discovered Janus Si dichalcogenides (JSDs), a new class of 2D materials with significant structural asymmetry. These materials exhibit unique electronic and piezoelectric properties, paving the way for advanced spintronic and piezoelectric devices.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Solid State Chemistry

Background:

  • Two-dimensional (2D) materials with structural asymmetry are crucial for novel physical properties.
  • The synthesis of monolayer Si2Te2 inspired the exploration of related materials.

Purpose of the Study:

  • To investigate a new family of 2D materials, Janus Si dichalcogenides (JSDs).
  • To explore their structural asymmetry, electronic properties, and potential applications.

Main Methods:

  • First-principles calculations were employed to study the properties of JSDs.
  • Analysis of structural asymmetry, polar fields, spin splitting, and piezoelectric response.

Main Results:

  • JSDs exhibit strong structural asymmetry, leading to a pronounced intrinsic polar field.
  • Sizable spin splitting with an out-of-plane component and a large piezoelectric response (d11 and d31 coefficients) were observed.
  • Strain-induced phase transitions and competing conduction band valleys were identified, affecting optical and transport properties.

Conclusions:

  • Janus Si dichalcogenides represent a novel class of 2D materials with unique properties.
  • Their strong asymmetry, spin splitting, and piezoelectricity make them promising for spintronic and piezoelectric devices.