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Related Concept Videos

Properties of Transition Metals02:58

Properties of Transition Metals

30.9K
Transition metals are defined as those elements that have partially filled d orbitals. As shown in Figure 1, the d-block elements in groups 3–12 are transition elements. The f-block elements, also called inner transition metals (the lanthanides and actinides), also meet this criterion because the d orbital is partially occupied before the f orbitals.
30.9K
Semiconductors01:22

Semiconductors

1.9K
There is variation in the electrical conductivity of materials - metals, semiconductors, and insulators that are showcased with the help of the energy band diagrams.
Metals such as copper (Cu), zinc (Zn), or lead (Pb) have low resistivity and feature conduction bands that are either not fully occupied or overlap with the valence band, making a bandgap non-existent. This allows electrons in the highest energy levels of the valence band to easily transition to the conduction band upon gaining...
1.9K
Metal-Semiconductor Junctions01:24

Metal-Semiconductor Junctions

1.4K
The contact of metal and semiconductor can lead to the formation of a junction with either Schottky or Ohmic behavior.
Schottky Barriers
Schottky barriers arise when a metal with a work function (Φm) contacts a semiconductor with a different work function (Φs). Initially, electrons transfer until the Fermi levels of the metal and semiconductor align at equilibrium. For instance, if Φm > Φs, the semiconductor Fermi level is higher than the metal's before contact. The...
1.4K
Types of Semiconductors01:20

Types of Semiconductors

1.8K
Intrinsic semiconductors are highly pure materials with no impurities. At absolute zero, these semiconductors behave as perfect insulators because all the valence electrons are bound, and the conduction band is empty, disallowing electrical conduction. The Fermi level is a concept used to describe the probability of occupancy of energy levels by electrons at thermal equilibrium. In intrinsic semiconductors, the Fermi level is positioned at the midpoint of the energy gap at absolute zero. When...
1.8K
Bonding in Metals02:32

Bonding in Metals

56.2K
Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”. 
56.2K
Theory of Metallic Conduction01:17

Theory of Metallic Conduction

2.0K
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.
In this theory, Newton's second law of motion is used to determine the acceleration of an electron in the presence of an applied electric field. Then, its velocity is expressed via this acceleration.
An electron moves through the crystal, containing positive ions,...
2.0K

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Related Experiment Video

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Tuning Oxide Properties by Oxygen Vacancy Control During Growth and Annealing
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Semiconducting transition metal oxides.

Stephan Lany1

  • 1National Renewable Energy Laboratory, Golden, CO 80401, USA.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|July 1, 2015
PubMed
Summary

This study explores semiconducting transition metal oxides, challenging their insulator classification. It reviews electronic structure calculations to guide the design of novel functional materials for energy applications.

Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Chemistry

Background:

  • Open shell transition metal oxides are typically classified as Mott or charge transfer insulators, distinct from semiconductors.
  • This classification overlooks the potential for correlated gaps and semiconductivity to coexist in these materials.

Purpose of the Study:

  • To review electronic structure calculations of binary 3d oxides to identify trends and design principles for semiconducting transition metal oxides.
  • To explore the potential of these materials for novel functional compounds, particularly for energy applications.

Main Methods:

  • Review of electronic structure calculations, specifically quasi-particle energy calculations in GW approximation.
  • Analysis of band structure calculations that integrate 3d orbitals and sp bands while accounting for electron correlation.

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  • Quantitative prediction of carrier self-trapping energy to assess semiconducting properties.

    • Main Results:

    • Identified trends and design principles for semiconducting transition metal oxides.
    • Demonstrated the viability of GW approximation for band structure predictions in these complex materials.
    • Highlighted the impact of 3d orbital hybridization with O-p orbitals on effective masses and self-trapping likelihood.

    Conclusions:

    • Semiconducting transition metal oxides offer potential for new functional materials.
    • Accurate electronic structure calculations are crucial for predicting and designing these materials.
    • Understanding carrier self-trapping and defect physics is essential for optimizing their semiconducting performance.