Donor-acceptor OXO bonds to N, P, As and Sb states of III-V semiconductors

Roger Chang; William A. Goddard

doi:10.1016/0039-6028(85)90067-6

Donor-acceptor OXO bonds to N, P, As and Sb states of III-V semiconductors

Roger Chang, William A. Goddard

California Institute of Technology

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

Abstract

As a model for a proposed phosphine oxide-type initial state in the oxidation of III-V semiconductors, we have examined the structure and bonding of the phosphine oxide-type bond in Cl₃Y = O where Y = N, P, As, ans Sb. We calculate an Y = O bond energy of 114 kcal for P = O, in reasonable agreement with experiment. 123 kcal/mol. The other calculated bond energies (kcal/mol) are 47 (N), 82 (As), and 63 (Sb). Based on these results, we conclude that such bonds should play an important role in phosphides and are likely to be important in arsenides but not in nitrides or antimonides.

Original language	English
Pages (from-to)	341-348
Number of pages	8
Journal	Surface Science
Volume	149
Issue number	2-3
DOIs	https://doi.org/10.1016/0039-6028(85)90067-6
Publication status	Published - 2 Jan 1985
Externally published	Yes

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title = "Donor-acceptor OXO bonds to N, P, As and Sb states of III-V semiconductors",

abstract = "As a model for a proposed phosphine oxide-type initial state in the oxidation of III-V semiconductors, we have examined the structure and bonding of the phosphine oxide-type bond in Cl3Y = O where Y = N, P, As, ans Sb. We calculate an Y = O bond energy of 114 kcal for P = O, in reasonable agreement with experiment. 123 kcal/mol. The other calculated bond energies (kcal/mol) are 47 (N), 82 (As), and 63 (Sb). Based on these results, we conclude that such bonds should play an important role in phosphides and are likely to be important in arsenides but not in nitrides or antimonides.",

author = "Roger Chang and Goddard, \{William A.\}",

year = "1985",

month = jan,

day = "2",

doi = "10.1016/0039-6028(85)90067-6",

language = "English",

volume = "149",

pages = "341--348",

journal = "Surface Science",

issn = "0039-6028",

number = "2-3",

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TY - JOUR

T1 - Donor-acceptor OXO bonds to N, P, As and Sb states of III-V semiconductors

AU - Chang, Roger

AU - Goddard, William A.

PY - 1985/1/2

Y1 - 1985/1/2

N2 - As a model for a proposed phosphine oxide-type initial state in the oxidation of III-V semiconductors, we have examined the structure and bonding of the phosphine oxide-type bond in Cl3Y = O where Y = N, P, As, ans Sb. We calculate an Y = O bond energy of 114 kcal for P = O, in reasonable agreement with experiment. 123 kcal/mol. The other calculated bond energies (kcal/mol) are 47 (N), 82 (As), and 63 (Sb). Based on these results, we conclude that such bonds should play an important role in phosphides and are likely to be important in arsenides but not in nitrides or antimonides.

AB - As a model for a proposed phosphine oxide-type initial state in the oxidation of III-V semiconductors, we have examined the structure and bonding of the phosphine oxide-type bond in Cl3Y = O where Y = N, P, As, ans Sb. We calculate an Y = O bond energy of 114 kcal for P = O, in reasonable agreement with experiment. 123 kcal/mol. The other calculated bond energies (kcal/mol) are 47 (N), 82 (As), and 63 (Sb). Based on these results, we conclude that such bonds should play an important role in phosphides and are likely to be important in arsenides but not in nitrides or antimonides.

U2 - 10.1016/0039-6028(85)90067-6

DO - 10.1016/0039-6028(85)90067-6

M3 - Article

AN - SCOPUS:46549100948

SN - 0039-6028

VL - 149

SP - 341

EP - 348

JO - Surface Science

JF - Surface Science

IS - 2-3

ER -

Donor-acceptor OXO bonds to N, P, As and Sb states of III-V semiconductors

Abstract

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