In P under high pressures

Journal of Materials Research

Volumn 7, Issue 8, 1992, Pages 2205-2210

  Kasowski, R V ^b   Dow, John D ^a  

^a ARIZONA STATE UNIVERSITY   (United States)

^b DUPONT COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY GAP; INDIUM COMPOUNDS - ELECTRONIC PROPERTIES; PHOTOLUMINESCENCE; SOLIDS - PHYSICAL PROPERTIES;

BOND LENGTH; BULK MODULUS; CRITICAL PRESSURE; EQUATION OF STATE; FIRST PRINCIPLES PSEUDOFUNCTION METHOD;

INDIUM COMPOUNDS;

EID: 0026902494     PISSN: 08842914     EISSN: 20445326     Source Type: Journal    
DOI: 10.1557/JMR.1992.2205     Document Type: Article

References (22)

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12. Since the bond length in the rocksalt structure is larger than that in the zinc-blende structure, we used a larger muffin-tin radius for P in the former structure. This is necessary in order to compare total energies between the two different structures on the same footing. The muffin-tin radii for In were 2.50 aB, where aB is the hydrogenic Bohr radius; for P, the muffin-tin radii were chosen to be 1.80 aB for the zinc-blende structure and 2.20 aB for rocksalt, to reflect the larger In-P bond length.
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18. This value is estimated from data for In1-xGaxP alloys given in Ref. 3.
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