IntrinsicDXCenters in Ternary Chalcopyrite Semiconductors
نویسندگان
چکیده
منابع مشابه
A study of energy gap, refractive index and electronic polarizability of ternary chalcopyrite semiconductors
A simple relation between the optical electronegativity, energy gap, refractive index and electronic polarizability is given for ternary chalcopyrite semiconductors. Energy gap has been evaluated from the optical electronegativity whereas refractive index and electronic polarizability values have been evaluated from the energy gap by proposing a linear relation between them. The calculated valu...
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We have studied the structural and electronic properties of pure, deffect and doped chalcopyrite semiconductors using Density functional theory (DFT) based first principle technique within Tight binding Linear Muffin Tin orbital (TB-LMTO) method. Our calculated structural parameters such as lattice constant, anion displacement parameter(u) in case of pure chalcopyrite and anion displacement par...
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Atom arrangements in IH-V ternary aHoy semiconductors are discussed using a thermodynamic analysis in which the elastic strain caused by mixing is considered as the mixing enthalpy. In calculating the strain energy, both bond-stretching and bond-angl.e distortion are taken into account, and Martin's microscopic elastic constants are used. The results show that there is a preference for ordering...
متن کاملWurtzite-derived ternary I–III–O2 semiconductors
Ternary zincblende-derived I-III-VI2 chalcogenide and II-IV-V2 pnictide semiconductors have been widely studied and some have been put to practical use. In contrast to the extensive research on these semiconductors, previous studies into ternary I-III-O2 oxide semiconductors with a wurtzite-derived β-NaFeO2 structure are limited. Wurtzite-derived β-LiGaO2 and β-AgGaO2 form alloys with ZnO and t...
متن کاملThree-dimensional topological insulators in I-III-VI2 and II-IV-V2 chalcopyrite semiconductors.
Using first-principles calculations within density functional theory, we investigate the band topology of ternary chalcopyrites of composition I-III-VI2 and II-IV-V2. By exploiting adiabatic continuity of their band structures to the binary 3D-HgTe, combined with direct evaluation of the Z2 topological invariant, we show that a large number of chalcopyrites can realize the topological insulatin...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2008
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.100.016401