Nuclear Magnetic Resonance in I_B–III–VI₂ Semiconductors

Abstract

Nuclear magnetic resonance spectra of Cue3 and AlZ7, Gaaa and In115 have been recorded in ternary IB-III-VI, semiconductors, which crystallize in the tetragonal chalcopyrite structure. Nuclear electric quadrupole coupling constants have been determined and are discussed in connection with the structural parameters of these compounds, which were determined by X-ray diffraction.Es wurden die Kernresonanzspektren von Cus3 und AP7, Ga60 und In115 in den ternaren IB-III-VI,-Halbleitern, die in der tetragonalen Chalkopyrit-Struktur kristallisieren, bestimmt. Die elektrischen Kern-Quadrupol-Kopplungskonstanten wurden bestimmt und werden in Verbindung mit den Strukturparametern dieser Verbindungen diskutiert, die durch Rontgenbeugung bestimmt wurden.

Calculation of the EPR Parameters and the Local Structure for Fe+ on the Zn2+ Site of ZnSiP2

“…So, the optical spectral parameters Dq ≈ 350 cm −1 and β ≈ 0.55 can be calculated from (6). These values are comparable with those (Dq ≈ 470 cm −1 and β ≈ 0.43 [16]) of the isoelectronic Co 2+ -P 3− cluster in GaP, where the metal-ligand distance R (≈ 2.36Å [17]) is close to that (≈ 2.375Å [7]) for the Zn 2+ site in ZnSiP 2 of this work.…”

“…The tetragonal distortion of the studied system (the impurity Fe + on a group-II B Zn 2+ site) is related to the angle α, which depends upon the tilting angle τ and the atomic position parameter x. These relationships can be expressed as [6] cos α ≈ η(16x 2 + η 2 + 1)…”

“…Useful properties, such as infrared absorption and reflectivity of ZnSiP 2 have also found interest [4,5]. This semiconductor crystallizes in the tetragonal chalcopyrite structure, which derives directly from the cubic zincblende lattice [6]. Both the group-II B (Zn 2+ ) and group-IV (Si 4+ ) cation sites are surrounded by tetragonally distorted phosphorus tetrahedra [6].…”

“…This semiconductor crystallizes in the tetragonal chalcopyrite structure, which derives directly from the cubic zincblende lattice [6]. Both the group-II B (Zn 2+ ) and group-IV (Si 4+ ) cation sites are surrounded by tetragonally distorted phosphorus tetrahedra [6]. This sort of distortion can be regarded as a clockwise or counterclockwise rotation of the anion tetrahedron by an angle ±τ around the fourfold axis [6,7].…”

“…Both the group-II B (Zn 2+ ) and group-IV (Si 4+ ) cation sites are surrounded by tetragonally distorted phosphorus tetrahedra [6]. This sort of distortion can be regarded as a clockwise or counterclockwise rotation of the anion tetrahedron by an angle ±τ around the fourfold axis [6,7]. Generally, the optical and electronic properties of these semiconductors depend strongly on transition metal ions, which often act as activated impurities, and so many spectroscopical experiments have been carried out on these impurities in this type of semiconductors.…”