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Semiconductors01:22

Semiconductors

1.7K
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...
1.7K
Phase Diagrams02:39

Phase Diagrams

50.7K
A phase diagram combines plots of pressure versus temperature for the liquid-gas, solid-liquid, and solid-gas phase-transition equilibria of a substance. These diagrams indicate the physical states that exist under specific conditions of pressure and temperature and also provide the pressure dependence of the phase-transition temperatures (melting points, sublimation points, boiling points). Regions or areas labeled solid, liquid, and gas represent single phases, while lines or curves represent...
50.7K
Types of Semiconductors01:20

Types of Semiconductors

1.6K
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...
1.6K
Phase Diagram01:19

Phase Diagram

7.1K
The phase of a given substance depends on the pressure and temperature. Thus, plots of pressure versus temperature showing the phase in each region provide considerable insights into the thermal properties of substances. Such plots are known as phase diagrams. For instance, in the phase diagram for water (Figure 1), the solid curve boundaries between the phases indicate phase transitions (i.e., temperatures and pressures at which the phases coexist).
7.1K
Metal-Semiconductor Junctions01:24

Metal-Semiconductor Junctions

1.2K
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...
1.2K
Fermi Level01:18

Fermi Level

2.0K
The Fermi-Dirac function is represented by an S-shaped curve indicating the probability of an energy state being occupied by an electron at a given temperature. The Fermi level is the energy level at which there is a fifty percent chance of finding an electron, and it is positioned between the lower-energy valence band and the higher-energy conduction band.
At absolute zero temperature, electrons fill all energy states up to the Fermi level, leaving upper states empty. As the temperature rises,...
2.0K

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Updated: Feb 24, 2026

Phase Diagram Characterization Using Magnetic Beads as Liquid Carriers
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Phase Diagram Characterization Using Magnetic Beads as Liquid Carriers

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"Property Phase Diagrams" for Compound Semiconductors through Data Mining.

Srikant Srinivasan1, Krishna Rajan2

  • 1Combinatorial Sciences and Materials Informatics Collaboratory, Department of Materials Science and Engineering, Iowa State University, Ames, IA 50011, USA. srikants@iastate.edu.

Materials (Basel, Switzerland)
|August 16, 2017
PubMed
Summary
This summary is machine-generated.

Materials informatics can predict material properties like bandgap and lattice parameters from elemental data. This study links elemental descriptors to bandgap bowing in compound semiconductors, advancing materials design.

Keywords:
III–V materialsbandgap engineeringcrystal stoichiometrydata mininghigh dimensional datamaterials informaticsphase diagramssemiconductor compoundsstructure-property relationships

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Area of Science:

  • Materials Science
  • Computational Materials Science
  • Solid-State Physics

Background:

  • Materials informatics offers powerful tools for predicting material properties.
  • Understanding property-phase diagrams is crucial for designing new materials.
  • Bandgap bowing in compound semiconductors is a well-known phenomenon.

Purpose of the Study:

  • To demonstrate the capability of materials informatics in recreating property-phase diagrams from elemental properties.
  • To establish a relationship between fundamental elemental descriptors and bandgap bowing in compound semiconductors.
  • To predict bandgap and lattice parameters for GaInAsSb stoichiometries.

Main Methods:

  • Utilizing synergistic data mining techniques: Principal Component Analysis (PCA), Partial Least Squares Regression (PLS), and Correlated Function Expansion (CFE).
  • Extracting five key elemental descriptors from a database of correlated descriptors.
  • Applying these methods to predict bandgap and lattice parameters for GaInAsSb alloys.

Main Results:

  • Successfully predicted bandgap and lattice parameters for various GaInAsSb stoichiometries.
  • Demonstrated that five selected elemental descriptors collectively capture the bandgap bowing phenomenon.
  • Established a novel link between discrete elemental descriptors and bandgap bowing.

Conclusions:

  • Materials informatics can effectively predict property-phase diagrams using electronic and crystal structure properties.
  • The study provides the first demonstration of relating discrete elemental descriptors to bandgap bowing.
  • This approach offers fundamental insights into solid solution thermodynamics for semiconductor design.