Stability of the strained-layer superlattice (GaP)1/(InP)1 (001)

J. S. Nelson; Inder P. Batra

doi:10.1103/PhysRevB.39.3250

Stability of the strained-layer superlattice (GaP)1/(InP)1 (001)

J. S. Nelson
, Inder P. Batra

Research output: Contribution to journal › Article › peer-review

14 Scopus citations

Abstract

First-principles total-energy methods have been used to study the stability of the strained monolayer superlattice (GaP)1/(InP)1 (001). We find a value of 4 mRy for the heat of formation, suggesting that this superlattice is unstable to disproportionation into its bulk constituent compounds. Upon formation of the superlattice, a small charge transfer from GaP to the more ionic InP is found. The Ga-P and In-P bond lengths in (GaP)1/(InP)1 are within 1% of their bulk theoretical values. © 1989 The American Physical Society.

Original language	English
Pages (from-to)	3250-3253
Number of pages	4
Journal	Physical Review B
Volume	39
Issue number	5
DOIs	https://doi.org/10.1103/PhysRevB.39.3250
State	Published - Jan 1 1989
Externally published	Yes

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title = "Stability of the strained-layer superlattice (GaP)1/(InP)1 (001)",

abstract = "First-principles total-energy methods have been used to study the stability of the strained monolayer superlattice (GaP)1/(InP)1 (001). We find a value of 4 mRy for the heat of formation, suggesting that this superlattice is unstable to disproportionation into its bulk constituent compounds. Upon formation of the superlattice, a small charge transfer from GaP to the more ionic InP is found. The Ga-P and In-P bond lengths in (GaP)1/(InP)1 are within 1\% of their bulk theoretical values. {\textcopyright} 1989 The American Physical Society.",

author = "Nelson, \{J. S.\} and Batra, \{Inder P.\}",

year = "1989",

month = jan,

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doi = "10.1103/PhysRevB.39.3250",

language = "English",

volume = "39",

pages = "3250--3253",

journal = "Physical Review B",

issn = "0163-1829",

publisher = "American Institute of Physics",

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T1 - Stability of the strained-layer superlattice (GaP)1/(InP)1 (001)

AU - Nelson, J. S.

AU - Batra, Inder P.

PY - 1989/1/1

Y1 - 1989/1/1

N2 - First-principles total-energy methods have been used to study the stability of the strained monolayer superlattice (GaP)1/(InP)1 (001). We find a value of 4 mRy for the heat of formation, suggesting that this superlattice is unstable to disproportionation into its bulk constituent compounds. Upon formation of the superlattice, a small charge transfer from GaP to the more ionic InP is found. The Ga-P and In-P bond lengths in (GaP)1/(InP)1 are within 1% of their bulk theoretical values. © 1989 The American Physical Society.

AB - First-principles total-energy methods have been used to study the stability of the strained monolayer superlattice (GaP)1/(InP)1 (001). We find a value of 4 mRy for the heat of formation, suggesting that this superlattice is unstable to disproportionation into its bulk constituent compounds. Upon formation of the superlattice, a small charge transfer from GaP to the more ionic InP is found. The Ga-P and In-P bond lengths in (GaP)1/(InP)1 are within 1% of their bulk theoretical values. © 1989 The American Physical Society.

UR - https://www.scopus.com/pages/publications/35949011422

U2 - 10.1103/PhysRevB.39.3250

DO - 10.1103/PhysRevB.39.3250

M3 - Article

SN - 0163-1829

VL - 39

SP - 3250

EP - 3253

JO - Physical Review B

JF - Physical Review B

IS - 5

ER -

Stability of the strained-layer superlattice (GaP)1/(InP)1 (001)

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