COMPOSITION DEPENDENCE OF BULK MODULUS AND BOND LENGTH OFMg_xZn_1-xO(x = 0.0-1.0) ALLOY SEMICONDUCTORS

Abstract

For the first time, a general viewpoint of electronegativity and chemical bond in alloy semiconductors, e.g., Mg x Zn 1-x O (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 Mg x Zn 1-x O alloys decrease with increasing Mg concentration x. The detailed variation of bond lengths of both Mg–O and Zn–O in Mg x Zn 1-x O alloys in the whole composition range was determined, which is less than 0.007 Å. 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 Mg x Zn 1-x O condenses in an alloy state.

Crystallization and functionality of inorganic materials

“…Previously, people often much highlighted the importance of the structure-property relationship in the field of materials science [21,22], due to the relatively low developing speed of computerrelated products. Currently, the structure-property-functionality relationship becomes more and more important in facing many urgent requests from various industries, which is the key to devices fabrication and application [23][24][25]. Often, people can also use this flow chart in an inverse way, which means that people can carry out functionality-oriented crystallization to respectively select particular property of materials such as superconductivity, conductivity, semiconductivity, and insulating, depending on the industrial demands on optical, electrical, magnetic, thermal, and biological devices, etc.…”

Electronegativity calculation of bulk modulus and band gap of ternary ZnO-based alloys

“…Recently, an important strategy to extend the applications of ZnO-based optoelectronic devices is to fabricate ternary ZnO-based alloys with the purpose of tuning their band gaps in the range of bluegreen and ultraviolet wavelength, which greatly promotes band gap engineering as well as heterojunctions design [2]. Alloying ZnO with other group-II metal oxides, the ternary alloys may possess band gap ranging continuously from about 2.3 to 10.6 eV through changing the dopant concentration.…”

“…Recently, we established an EN scale based on electrostatic potential of atoms in covalent crystals [11], which was satisfactorily used to predict the physical properties of crystal materials, such as hardness, bulk modulus, and band gap [2,12,13]. In this work, we investigated the bulk modulus and band gap of ternary ZnO-based alloys (Be x Zn 1Àx O, Mg x Zn 1Àx O, Ca x Zn 1Àx O and Cd x Zn 1Àx O) with wurtzite and rocksalt structures in the whole composition range by using EN-bulk modulus and EN-band gap models.…”

Effects of intermediate metal layer on the properties of Ga–Al doped ZnO/metal/Ga–Al doped ZnO multilayers deposited on polymer substrate

“…The ZnO is n-type semiconductor with the wide direct band gap of 3.37 eV and large exciton binding energy of 60 meV [5]. Doped ZnO, such as Al doped ZnO (AZO) [6], Ga-doped ZnO (GZO) [7], indium doped ZnO (IZO) [8], indium zinc tin oxide (IZTO) [9], Zr-doped ZnO (ZZO) [10], Mo-doped ZnO (MZO) [11], and co-doped Ga-Al doped ZnO [12,13] have been widely investigated due to their excellent properties. However, the resistivity of these doped ZnO is not low enough in some cases for improved applications [14].…”