• Rapid Communication

Structural and chemical changes in binary versus ternary tetrahedral semiconductors

José Luís Martins and Alex Zunger
Phys. Rev. B 32, 2689(R) – Published 15 August 1985
PDFExport Citation

Abstract

The properties of a prototype ternary semiconductor with the chalcopyrite structure—MgSiP2—are studied as a function of lattice constant, tetragonal distortion, and anion displacement with the use of the ab initio density-functional method. This system is then used as a general model for understanding the chemical and structural differences between a binary tetrahedral semiconductor (e.g., zinc blende) and its isoelectronic ternary analog (e.g., MgSiP2).

  • Received 13 May 1985

DOI:https://doi.org/10.1103/PhysRevB.32.2689

©1985 American Physical Society

Authors & Affiliations

José Luís Martins and Alex Zunger

  • Solar Energy Research Institute, Golden, Colorado 80401

References (Subscription Required)

Click to Expand
Issue

Vol. 32, Iss. 4 — 15 August 1985

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×