Cr, Mn 금속이 도핑된 ZnGeP2반도체의 강자성

초록

The ZnGeP2 has a chalcopyrite (CH) atomic structure, which shows a semiconductor property. The calculated energy-gap is a 0.45eV. The electronic and magnetic properties for Cr or Mn-doped CH-ZnGeP2 quaternary alloys are investigated by using a first-principles method. In the case of Mn-doped ZnGeP2 spin splitting-energy is very low, while it of Cr-doped ZnGeP2 alloys with the concentrations of 3.125%, 6.25%, and 9.375% are a high relatively. These systems exhibit the ferromagnetism. The Cr magnetic moment with increasing of concentration is sustained nearly constant value of about 2.4μB/Cr. It is noticeable that the semiconducting characteristic of ZnGeP2:Cr quaternary alloy is appeared. However it does not appear for Mn-doped ZnGeP2 alloy, its system has a quasi energy-gap just above Fermi level. It is induced a strong hybridized coupling between Mn-3d and neighboring P-3p electrons namely.

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