Journal
FUNCTIONAL MATERIALS LETTERS
Volume 3, Issue 4, Pages 241-244Publisher
WORLD SCIENTIFIC PUBL CO PTE LTD
DOI: 10.1142/S1793604710001330
Keywords
MgxZn1-xO alloy; bulk modulus; bond length; electronegativity; chemical bond
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Funding
- National Natural Science Foundation of China [50872016, 20973033]
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For the first time, a general viewpoint of electronegativity and chemical bond in alloy semiconductors, e.g., MgxZn1-xO (x = 0.0-1.0) was proposed. The variation of bulk modulus and bond length, as well as their dependence on Mg concentration x were quantitatively simulated. The bulk moduli of MgxZn1-xO alloys decrease with increasing Mg concentration x. The detailed variation of bond lengths of both Mg-O and Zn-O in MgxZn1-xO alloys in the whole composition range was determined, which is less than 0.007 angstrom. The valence state of Mg is larger than that of Zn when x = 0.0-1.0, which leads to the increase of valence state of O with increasing Mg concentration x. The current results clearly indicate that MgxZn1-xO condenses in an alloy state.
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