Search engine for discovering works of Art, research articles, and books related to Art and Culture
Javascript must be enabled to continue!
Ordered phases in ternary wurtzite group-III nitrides: A first-principles study
View through CrossRef
A first-principles-based lattice model is applied to investigate the ordered phases of mixed group-III nitride ternary alloys. The model surveys the atomistic configurations with the lowest formation enthalpy for a wide range of compositions. We found novel ordered phases in wurtzite structures having specific compositions of three- and four-sevenths molar fractions of group-III cations. The configurations of group–III atoms on cation sites in those phases consist of a characteristic fragment of the ordered phases of one-third and one-half ordered phases that were previously reported. The simulation results indicate that group-III cations in ternary nitrides follow spatial positioning “atomistic distancing rules” that can be described by the pairwise interaction energy of group-III cations to realize the stabilities of the ordered structures. To minimize the formation enthalpy of a mixed crystal, the minor B, Al, Ga, and In atoms on cation sites remain neither too close to nor too distant from each other, allowing those ordered phases to be realized.
Title: Ordered phases in ternary wurtzite group-III nitrides: A first-principles study
Description:
A first-principles-based lattice model is applied to investigate the ordered phases of mixed group-III nitride ternary alloys.
The model surveys the atomistic configurations with the lowest formation enthalpy for a wide range of compositions.
We found novel ordered phases in wurtzite structures having specific compositions of three- and four-sevenths molar fractions of group-III cations.
The configurations of group–III atoms on cation sites in those phases consist of a characteristic fragment of the ordered phases of one-third and one-half ordered phases that were previously reported.
The simulation results indicate that group-III cations in ternary nitrides follow spatial positioning “atomistic distancing rules” that can be described by the pairwise interaction energy of group-III cations to realize the stabilities of the ordered structures.
To minimize the formation enthalpy of a mixed crystal, the minor B, Al, Ga, and In atoms on cation sites remain neither too close to nor too distant from each other, allowing those ordered phases to be realized.
Related Results
Młodociani sprawcy przestępstw przeciwko mieniu
Młodociani sprawcy przestępstw przeciwko mieniu
The new Polish penal legislation of 1969 introduced special rules of criminal liability of young adult offenders' aged 17-20. In 1972 criminological research was undertaken in orde...
Associative Ternary Algebras and Ternary Lie Algebras at Cube Roots of Unity
Associative Ternary Algebras and Ternary Lie Algebras at Cube Roots of Unity
We propose an approach to extending the concept of a Lie algebra to ternary structures based on ω-symmetry, where ω is a primitive cube root of unity. We give a definition of a cor...
Associative Ternary Algebras and Ternary Lie Algebras at Cube Roots of Unity
Associative Ternary Algebras and Ternary Lie Algebras at Cube Roots of Unity
We propose an approach to extend the concept of a Lie algebra to ternary structures based on ω-symmetry, where ω is a primitive cube root of unity. We give a definition of a corres...
The Nature of Man and Educational Administration: a Ternary Function
The Nature of Man and Educational Administration: a Ternary Function
Problem. There appears to be a growing uneasiness with much of current educational administrative theory and practice. It is hypothesized that this is largely due to inadequacies o...
Multistage germanium-rich sphalerite and wurtzite mineralization from the Qingshan carbonate-hosted Zn-Pb deposit, SW China
Multistage germanium-rich sphalerite and wurtzite mineralization from the Qingshan carbonate-hosted Zn-Pb deposit, SW China
Abstract
As a critical raw material for green technologies, germanium (Ge) is frequently concentrated in sphalerite (cubic ZnS). In nature, ZnS also occurs as its...
Generated Fuzzy Quasi-ideals in Ternary Semigroups
Generated Fuzzy Quasi-ideals in Ternary Semigroups
Here in this paper, we provide characterizations of fuzzy quasi-ideal in terms of level and strong level subsets. Along with it, we provide expression for the generated fuzzy quasi...
Phase Control Growth of InAs Nanowires by Using Bi Surfactant
Phase Control Growth of InAs Nanowires by Using Bi Surfactant
To realize practical applications of nanowire-based devices, it is critical, yet challenging, to control crystal structure growth of III-V semiconductor nanowires. Here, we demonst...
Formulation of Cefdinir Ternary Solid Dispersion and Stability Study under Harsh Conditions
Formulation of Cefdinir Ternary Solid Dispersion and Stability Study under Harsh Conditions
Cefdinir (CEF) is classified as a third-generation cephalosporin within class IV of the Biopharmaceutical Classification System (BCS). Cefdinir has low solubility and permeability,...