Chemical Bond in Semiconductors

Mooser, E.; Pearson, W. B.

doi:10.1103/physrev.101.1608

Cited by 113 publications

(38 citation statements)

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“…La question a ~t@ reprise en d@tail par Krebs £ Amsterdam (1954) et dans une s@rie d 'articles ult@rieurs (1955), (1956), (1957), qui ont montr6 l'influence du type d'orbitales atomiques utilis@es sur le nombre de coordination des atomes constituant le r~seau cristallin. Mooser & Pearson (1956a) ont alors essay@ de d@ga-ger une r~gle 61ectronique simple refl6tant un type de liaison particulier aux semiconducteurs, ayant en vue l'utilisation d'une telle rggle pour la prddiction de la semiconductibilit@. Observant que la diff@rence d'@lec-tron@gativit6 entre atomes constituant les compos@s binaires est g@n6ralement iafdrieure £ l'unitd, ce qui correspond d'apr@s Pauling (1948) £ un caract~re ionique de 25% au plus, ils ont conclu que la semiconductibilit~ @tait essentiellement li@e £ l'existence d'un rdseau continu de liaisons homopolaires, et sugg6r@ que l'occupation de tous les niveaux 6lectroniques set p, qui est de r~gle dans le cas des @l@ments, pouvait n'~tre r@alisge que pour un atome sur deux dans le cas des compos@s. L'application de cette r~gle £ diff~rents semiconducteurs connus a ~t@ pr@cis@e par ces auteurs g Rugby (1956b) et dans diverses publications ultdrieures (1956c), (1957), (1958).…”

Section: Introductionunclassified

Sur la nature des liaisons dans les composés I–V

Suchet¹

1961

Acta Cryst

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(Regu le 22 mars 1960 et rdvisd le 30 juin 1960)The work of Krebs has shown that homopolar bonds are commoner in mineral crystals than was formerly assumed, and iV[ooser & Pearson have suggested that they are an essential prerequisite for the appearance of semiconducting properties. In former papers the electronic rules for predicting semiconduction were generalized, and the notion of a compensated structure was introduced. The nature of bonds in the binary compounds of elements of the first and fifth columns of periodic table are considered here in the light of previous work; these compounds are almost all known to be semiconductors.The consideration of partial covalent lattices, already proposed for the structure D0 a and B32, is extended to the structure D018 of AsNa 3 and to the structure of AsLi. In the first it is shown that interstitial 'molecules' of Na 2 exist, without bonds with the plane nets of type BI2, and that in the second there are helical covalent chains of the type A 8. The interatomic distances in these different structures serve as a foundation for the calculation of the atomic contributions of elements I and V to the bond lengths for different types of orbitals. It is first shown that these contributions vary regularly as a function of the formal charges which the covalent formulae assign to the chemical symbols of the elements, and secondly that they permit the establishment of conditions of stability for the different structures.A simplification of the Strulcturbericht classification is proposed for structures partially homopolar.

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Section: Introductionunclassified

Sur la nature des liaisons dans les composés I–V

Suchet¹

1961

Acta Cryst

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“…First of all it is not clear why the reduced electron concentration (3.5 valence electrons per atom as opposed to 4) still affords semiconductor properties. Early attempts to describe CdSb by a covalent (two-center, twoelectron) bonding model date back to Mooser and Pearson in 1956. 13 Later, Velicky and Frei introduced an appealing scheme where they identified an "electron deficient" multicenter bonded structural unit in CdSb.…”

Section: Introductionmentioning

confidence: 99%

Electronic structure and chemical bonding of the electron-poor II-V semiconductors ZnSb and ZnAs

2011

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The binary compounds ZnSb and ZnAs with the CdSb structure are semiconductors (II-V), although the average electron concentration (3.5 per atom) is lower than that of the tetrahedrally bonded III-V and II-VI archetype systems (4 per atom). We report a detailed electronic structure and chemical bonding analysis for ZnSb and ZnAs based on first principles calculations. ZnSb and ZnAs are compared to the zinc blende type semiconductors GaSb, ZnTe, GaAs, and ZnSe, as well as the more ionic, hypothetical, II-V systems MgSb and MgAs. We establish a clearly covalent bonding scenario for ZnSb and ZnAs where multicenter bonded structural entities (rhomboid rings Zn 2 Sb 2 and Zn 2 As 2 ) are connected to each other by classical two-center, twoelectron bonds. This bonding scenario is only compatible with a weak ionicity in II-V semiconductor systems and appears to be strongly coupled to the stability of the CdSb structure type. It is argued that a chemical bonding scenario with mixed multicenter and two-center bonding resembles that of boron and boron rich compounds, and is typical of electron poor spbonded semiconductors with average valence electron concentrations below 4 per atom.2

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“…Both compounds are nonmetallic polyselenides. Thus, they are Mooser-Pearson phases [4] and therefore can formally be described by ionic formulae Ba^Se^1 and Ba^SeOSe^1. From their color we deduce an energy gap of roughly 2 eV, somewhat larger in the diselenide than in the triselenide.…”

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confidence: 99%