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Hydrogen AlN and ZnO-based diluted magnetic semiconductor materials First-principles study

Author: ZhangJianMin
Tutor: HuangZhiGao
School: Fujian Normal University
Course: Theoretical Physics
Keywords: Diluted magnetic semiconductor Hydrogen Electronic structural stability Vibration frequency Magnetic properties First Principle
CLC: O471
Type: Master's thesis
Year: 2010
Downloads: 77
Quote: 0
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Abstract


Diluted magnetic semiconductor material for its unique properties and broad application prospects have attracted a lot of research interest in theoretical and experimental scientists in recent years become a research hotspot . While the hydrogen in AlN and Zn0 groups and other types of diluted magnetic semiconductor material preparation process will be a lot , the inevitable existence of a significant impact on the material properties . Therefore, this paper mainly adopts first-principles calculations of hydrogen AlN and ZnO-based diluted magnetic semiconductor materials. Main contents are as follows : Firstly, introduces the research background , including semiconductor materials , spintronics development , Zn0 base and AlN -based diluted magnetic semiconductor research profile and hydrogen doped semiconductor material properties , etc. Meanwhile , details of the paper involved first- principles calculations of the theoretical basis and implementation process. Secondly, the use of first-principles calculations of hydrogen -doped p -type AlN materials, structural stability and vibration characteristics . From divalent atoms (Be, Mg, Ca, Sr, Ba) doped AlN starting material was studied under conditions of hydrogen involved in the location and the presence of hydrogen bonding , and to obtain a hydrogen -related composite key experimental vibrational frequencies for further study. Also found that the stability and vibration characteristics of the architecture with the size of the variation of ion doping . Calculation takes into account the quality of light caused by hydrogen anharmonic effects on the vibrational frequencies have contributed to the results more accurate. Then, the study of Co -doped Zn0 presence of hydrogen atoms in materials , as well as electronic structure and vibrational properties . Focuses on the geometry of the presence of hydrogen bonding bit type and case studies found that hydrogen will be a price close to the donor form and O key. Consider the anharmonic effects and got OH complexes localized vibrational modes were obtained under hydrogen in a stable position type vibration frequency. This paper evaluates experiments to explore the presence of hydrogen and p-type Zn0 Preparation Material provides theoretical guidance . Finally , the use of first-principles calculations combined with Monte Carlo simulations to study the hydrogen of Co -doped Zn0 dilute magnetic semiconductor material properties of the electronic structure and magnetic characteristics. The results show that Co-doped Zn0 hydrogen will lead to changes in the electron transfer system and induce a magnetic coupling system changes , the system will reach the Curie transition temperature above room temperature .

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CLC: > Mathematical sciences and chemical > Physics > Semiconductor physics > Semiconductive Theory
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