与Si相容的自旋电子学材料的研究：磁性半导体
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摘要
自旋电子学同时利用了电子的电荷和自旋两种属性,在器件内部实现了电与磁的耦合,是新一代的电子学。自旋电子学材料是当前自旋电子学的关键问题,Si是现代电子工业的基础。实现自旋电子学材料与Si半导体工艺的融合将会极大的促进半导体-自旋电子学的发展。因此,探索与Si相容的自旋电子学材料具有重要意义。论文着眼于与Si相容,以(Zn, Cr)S、(Ga, Mn)P和MnxSi1-x为主要研究对象,采用基于密度泛函的第一性原理方法计算探讨了锌氧族化合物、III-IV和IV族磁性半导体的掺杂磁性以及磁性产生机理。此外,论文还探讨了新型宽禁带绝缘体氧化物ZrO2和HfO2基磁性半导体的掺杂磁性以及这类材料向半导体中的自旋注入。
在第二章和第三章中,论文以(Zn, Cr)S和(Ga, Mn)P为主要研究对象系统探讨了锌氧族化合物和III-IV磁性半导体的掺杂磁性和热力学性质。研究表明,过渡金属原子倾向于在半导体基体中平面团聚形成delta掺杂,delta掺杂构型往往具有增强的二维磁性。论文系统考察了(Zn, Cr)S和(Ga, Mn)P的单层、半层、双层delta掺杂和一些接近delta掺杂构型的构型(指原子通过短距迁移可以转化为delta掺杂构型的构型)的磁性及能量状态。研究表明,(Zn, Cr)S的所有研究的掺杂构型都具有半金属铁磁性;(Ga, Mn)P的单层和半层delta掺杂构型具有半金属铁磁性,而双层为反铁磁性。论文还考察了不同晶面上的delta掺杂。研究表明,在(Zn, Cr)S和(Ga, Mn)P的高对称(001)面上的delta掺杂构型往往具有增强的二维半金属铁磁性(更高的铁磁稳定性和理论上保持半金属铁磁性的使用温度),而在低对称的(111)和(110)面上则失去铁磁性或铁磁性受到削弱。掺杂构型对磁性半导体磁性的影响可以采用配位场理论和Jahn-Teller理论进行解释。
在第四章中,论文系统探讨了MnxSi1-x磁性半导体的不同delta掺杂构型的磁性。研究表明,在Si的高对称(001)面上delta掺杂比在低对称(111)和(110)面上的铁磁性更稳定;在Si(001)面上低浓度单层delta掺杂具有半金属铁磁性,而半层和多层则失去半金属性质。MnxSi1-x磁性半导体的磁性起源可以用配位场理论描述。与(Zn, Cr)S和(Ga, Mn)P不同,delta掺杂使MnxSi1-x磁性半导体的铁磁稳定性提高但保持半金属铁磁性的使用温度降低。此外,论文还探讨了Si1-xGex合金和SiC的掺杂磁性。
在第五章中,论文探讨了新型宽禁带绝缘体氧化物ZrO2和HfO2基磁性半导体的掺杂磁性和这类材料向半导体的自旋注入。研究表明,热电子弹道注入机制可以实现与Si相容性较差的磁性半导体或铁磁体向Si的自旋注入。论文探讨了(Zr, Mn)O2和(Hf, Mn)O2的特殊电子结构在热电子弹道注入机制中的应用。论文指出采用这两种材料作为自旋过滤材料不但能在费米能级处实现100%自旋极化注入,而且能在很大范围的热电子能级上实现100%自旋极化注入。论文观察到注入到半导体中的电子自旋方向可以通过调整热电子能量进行调制,这有可能在电子自旋方向控制方面产生应用。
论文在各章中还探讨了几种常见3d过渡金属原子在ZnS、GaP、Si和ZrO2的(001)面上delta掺杂的磁性。研究表明,掺杂原子对掺杂磁性有决定性影响。
论文在第二章中还探讨了基体晶体结构和应力对掺杂磁性的影响。研究表明,基体晶体结构对称性越高,体系的铁磁稳定性越高;一般来说,应力对磁性半导体磁性影响很大。但研究表明,在很大范围内应力对立方(Zn, Cr)S的稳定性和半金属性质影响不大。此外,论文在第二章中还探讨了锌硫族化合物的delta掺杂的极端情况-立方过渡金属硫化物的磁性。论文指出立方VS、VSe、VTe、CrS、CrSe和CrTe等具有潜在的自旋电子学应用前景。
论文在第二章和第三章中还探讨了一些与Si具有较好相容性的锌硫族化合物和III-IV半导体及其合金的delta掺杂磁性。研究表明,立方(Zn, Cr)Se、(Ga, Mn)As、(Al, Mn)P、(Al, Mn)As、(Ga, Mn)PxAs1-x和(Ga1-xAlx, Mn)P等等都具有稳定的半金属铁磁性。此外,论文还探讨了一些与Si相容性较差的半导体材料的delta掺杂磁性,如立方(Zn, Cr)O、(Zn, Cr)Te、(Ga, Mn)Sb、(Al, Mn)Sb、(In, Mn)Sb、(In, V)N和(In, Cr)N等等都具有稳定的铁磁性。研究表明,这些材料都具有潜在的自旋电子学应用前景。
论文指出,delta掺杂有望成为解决磁性半导体中掺杂过渡金属原子的团聚控制问题的方法之一。
Spintronics is predominant for utilizing the spin and charge degrees of freedom of electrons in the same time, which is regarded as a revolutionary electronics for the future. Materials is the key issue to spintronics, the most potential spintronics materials should possess half-metallic ferromagnetism (HMF), high Cure temperature (TC), good compatibility with mainstream semiconductors technology, and good synthesizability. Semiconductor- spintronics is one key topic of spintronics, which is regarded as the most practical spintronics. Silicon is not only the base of the modern electronics; recent studies show it has potential to be the base of the spintronics. So, the study of spintronics materials compatible with silicon would be very important, which would pave way to silicon-spintronics.
Focused on (Zn, Cr)S, (Ga, Mn)P, and MnxSi1-x based magnetic semiconductors (MSs), the magnetism and origin of the magnetism in Zn-chalcogenides (ZnX, X=S, Se, Te), III-IV, and group IV MSs were studied using the first-principles density functional calculations. Moreover, the magnetism and electronic structures of ZrO2 and HfO2 based MSs and the spin injection from these materials into mainstream semiconductors were studied.
In chapter two and three, the effect of doping structures on the magnetism and energetics of (Zn, Cr)S and (Ga, Mn)P based MSs was studied. The results indicate that transition metal (TM) impurities are prone to planar clustering into delta-doping structure with enhanced two- dimensional (2D) ferromagnetism (FM). For the delta-doping structures, the energetics and magnetism of the single-, half-, and double-layer delta-doping structures, and the some doping structures close to the delta-doping structure were studied. The results indicate that all studied doping structures of (Zn, Cr)S show robust HMF. For (Ga, Mn)P, only the single-layer and half-layer delta-doping structure of show HMF, while the double-layer delta-doping structure shows anti-FM (AFM). The effect of crystal faces of the matrix semiconductors on the magnetism was studied also. The results indicate that delta-doping on higher symmetric crystal faces (001) shows enhanced 2D FM, while magnetism in lower symmetric crystal faces [(111) and (110)] are deteriorated. The effect of doping structures on the magnetism in MSs can be dictated by the Ligand Field Theory (LFT) and Jahn-Teller effect theory.
In chapter four, the effects of delta-doping structures and crystal faces on magnetism in MnxSi1-x were studied. The results indicate that the delta-doping structure in MnxSi1-x (001) show enhanced magnetism than in (111) and (110) faces, only low concentration single-layer delta-doping in MnxSi1-x (001) shows robust HMF, while the magnetism is deteriorated for half-layer and double-layer delta-doing structures. The origin of magnetism in MnxSi1-x using LFT and Jahn-Teller theory was discussed. Unlike (Zn, Cr)S and (Ga, Mn)P, the delta-doping structure of MnxSi1-x only show enhanced ferromagnetic stabilization, while temperature shown HMF is lowered. In the chapter, the magnetism in Si1-xGex and SiC based MSs are also studied. Moreover, the extreme case of the delta-doping structure of Zn-chalcogenides based MSs: TM-sulfides were studied. We find robust HMF in cubic VS, VSe, VTe, CrS, CrSe, and CrTe, and anticipate the potential spintronics application in these ferromagnets.
In chapter five, magnetism in the wide band-gap oxids, ZrO2 and HfO2, based MSs and the spin injection from the materials into mainstream semiconductors were studied. The results indicate that effective spin injection into silicon from ferromagnets incompatible with silicon may be realize by using spin-dependent ballistic hot-electron injection scheme. The results indicate that both (Zr, Mn)O2 and (Hf, Mn)O2 not only show HMF at the Fermi lever, but also show HMF at a large range of hot-electron energy. When (Zr, Mn)O2 and (Hf, Mn)O2 is used as the magnetic filtering in the ballistic hot-electron injection scheme, the electrons spin direction can be modulated by modulating the hot-electron energy. The character may be find use in spin direction controllment.
The magnetism in ZnS, GaP, silicon, and ZrO2 based MSs with different 3d TM impurities was studied also. The results indicate that the magnetism is substantially determined by the impurities atoms. In chapter two, the effects of the structure of the matrix semiconductor and stress on the magnetism of (Zn, Cr)S based MSs were studied also. The results indicate that the higher the symmetry of the matrix semiconductor, the robust the magnetism. Generally, the stress show important impact on the magnetism in magnetic semiconductors. However, the stress shows little effect on the HMF in cubic (Zn, Cr)S. Moreover, the extreme case of the delta-doping structure of Zn-chalcogenides based MSs: TM-sulfides were studied. We find robust HMF in cubic VS, VSe, VTe, CrS, CrSe, and CrTe, and anticipate the potential spintronics application in these ferromagnets.
In chapter two and three, the magnetism in Zn-chalcogenides and III-V based MSs with fair compatibility with silicon was studied. Therein, the results indicate robust HMF in (Zn, Cr)Se, (Ga, Mn)As, (Al, Mn)P, (Al, Mn)As, (Ga, Mn)PxAs1-x, (Ga1-xAlx, Mn)P, and so on. Furthermore, the stidies explored a group of MSs with robust HMF but poor compatible with silicon, such as cubic (Zn, Cr)O, (Zn, Cr)Te, (Ga, Mn)Sb, (Al, Mn)Sb, (In, Mn)Sb, (In, V)N, (In, Cr)N, and so on. The studies indicate potential spintronics application in these MSs.
The studies speculate that the delta-doping may be a solution to the controlment of the aggregation trend of the TM impurities in MSs.
在第二章和第三章中,论文以(Zn, Cr)S和(Ga, Mn)P为主要研究对象系统探讨了锌氧族化合物和III-IV磁性半导体的掺杂磁性和热力学性质。研究表明,过渡金属原子倾向于在半导体基体中平面团聚形成delta掺杂,delta掺杂构型往往具有增强的二维磁性。论文系统考察了(Zn, Cr)S和(Ga, Mn)P的单层、半层、双层delta掺杂和一些接近delta掺杂构型的构型(指原子通过短距迁移可以转化为delta掺杂构型的构型)的磁性及能量状态。研究表明,(Zn, Cr)S的所有研究的掺杂构型都具有半金属铁磁性;(Ga, Mn)P的单层和半层delta掺杂构型具有半金属铁磁性,而双层为反铁磁性。论文还考察了不同晶面上的delta掺杂。研究表明,在(Zn, Cr)S和(Ga, Mn)P的高对称(001)面上的delta掺杂构型往往具有增强的二维半金属铁磁性(更高的铁磁稳定性和理论上保持半金属铁磁性的使用温度),而在低对称的(111)和(110)面上则失去铁磁性或铁磁性受到削弱。掺杂构型对磁性半导体磁性的影响可以采用配位场理论和Jahn-Teller理论进行解释。
在第四章中,论文系统探讨了MnxSi1-x磁性半导体的不同delta掺杂构型的磁性。研究表明,在Si的高对称(001)面上delta掺杂比在低对称(111)和(110)面上的铁磁性更稳定;在Si(001)面上低浓度单层delta掺杂具有半金属铁磁性,而半层和多层则失去半金属性质。MnxSi1-x磁性半导体的磁性起源可以用配位场理论描述。与(Zn, Cr)S和(Ga, Mn)P不同,delta掺杂使MnxSi1-x磁性半导体的铁磁稳定性提高但保持半金属铁磁性的使用温度降低。此外,论文还探讨了Si1-xGex合金和SiC的掺杂磁性。
在第五章中,论文探讨了新型宽禁带绝缘体氧化物ZrO2和HfO2基磁性半导体的掺杂磁性和这类材料向半导体的自旋注入。研究表明,热电子弹道注入机制可以实现与Si相容性较差的磁性半导体或铁磁体向Si的自旋注入。论文探讨了(Zr, Mn)O2和(Hf, Mn)O2的特殊电子结构在热电子弹道注入机制中的应用。论文指出采用这两种材料作为自旋过滤材料不但能在费米能级处实现100%自旋极化注入,而且能在很大范围的热电子能级上实现100%自旋极化注入。论文观察到注入到半导体中的电子自旋方向可以通过调整热电子能量进行调制,这有可能在电子自旋方向控制方面产生应用。
论文在各章中还探讨了几种常见3d过渡金属原子在ZnS、GaP、Si和ZrO2的(001)面上delta掺杂的磁性。研究表明,掺杂原子对掺杂磁性有决定性影响。
论文在第二章中还探讨了基体晶体结构和应力对掺杂磁性的影响。研究表明,基体晶体结构对称性越高,体系的铁磁稳定性越高;一般来说,应力对磁性半导体磁性影响很大。但研究表明,在很大范围内应力对立方(Zn, Cr)S的稳定性和半金属性质影响不大。此外,论文在第二章中还探讨了锌硫族化合物的delta掺杂的极端情况-立方过渡金属硫化物的磁性。论文指出立方VS、VSe、VTe、CrS、CrSe和CrTe等具有潜在的自旋电子学应用前景。
论文在第二章和第三章中还探讨了一些与Si具有较好相容性的锌硫族化合物和III-IV半导体及其合金的delta掺杂磁性。研究表明,立方(Zn, Cr)Se、(Ga, Mn)As、(Al, Mn)P、(Al, Mn)As、(Ga, Mn)PxAs1-x和(Ga1-xAlx, Mn)P等等都具有稳定的半金属铁磁性。此外,论文还探讨了一些与Si相容性较差的半导体材料的delta掺杂磁性,如立方(Zn, Cr)O、(Zn, Cr)Te、(Ga, Mn)Sb、(Al, Mn)Sb、(In, Mn)Sb、(In, V)N和(In, Cr)N等等都具有稳定的铁磁性。研究表明,这些材料都具有潜在的自旋电子学应用前景。
论文指出,delta掺杂有望成为解决磁性半导体中掺杂过渡金属原子的团聚控制问题的方法之一。
Spintronics is predominant for utilizing the spin and charge degrees of freedom of electrons in the same time, which is regarded as a revolutionary electronics for the future. Materials is the key issue to spintronics, the most potential spintronics materials should possess half-metallic ferromagnetism (HMF), high Cure temperature (TC), good compatibility with mainstream semiconductors technology, and good synthesizability. Semiconductor- spintronics is one key topic of spintronics, which is regarded as the most practical spintronics. Silicon is not only the base of the modern electronics; recent studies show it has potential to be the base of the spintronics. So, the study of spintronics materials compatible with silicon would be very important, which would pave way to silicon-spintronics.
Focused on (Zn, Cr)S, (Ga, Mn)P, and MnxSi1-x based magnetic semiconductors (MSs), the magnetism and origin of the magnetism in Zn-chalcogenides (ZnX, X=S, Se, Te), III-IV, and group IV MSs were studied using the first-principles density functional calculations. Moreover, the magnetism and electronic structures of ZrO2 and HfO2 based MSs and the spin injection from these materials into mainstream semiconductors were studied.
In chapter two and three, the effect of doping structures on the magnetism and energetics of (Zn, Cr)S and (Ga, Mn)P based MSs was studied. The results indicate that transition metal (TM) impurities are prone to planar clustering into delta-doping structure with enhanced two- dimensional (2D) ferromagnetism (FM). For the delta-doping structures, the energetics and magnetism of the single-, half-, and double-layer delta-doping structures, and the some doping structures close to the delta-doping structure were studied. The results indicate that all studied doping structures of (Zn, Cr)S show robust HMF. For (Ga, Mn)P, only the single-layer and half-layer delta-doping structure of show HMF, while the double-layer delta-doping structure shows anti-FM (AFM). The effect of crystal faces of the matrix semiconductors on the magnetism was studied also. The results indicate that delta-doping on higher symmetric crystal faces (001) shows enhanced 2D FM, while magnetism in lower symmetric crystal faces [(111) and (110)] are deteriorated. The effect of doping structures on the magnetism in MSs can be dictated by the Ligand Field Theory (LFT) and Jahn-Teller effect theory.
In chapter four, the effects of delta-doping structures and crystal faces on magnetism in MnxSi1-x were studied. The results indicate that the delta-doping structure in MnxSi1-x (001) show enhanced magnetism than in (111) and (110) faces, only low concentration single-layer delta-doping in MnxSi1-x (001) shows robust HMF, while the magnetism is deteriorated for half-layer and double-layer delta-doing structures. The origin of magnetism in MnxSi1-x using LFT and Jahn-Teller theory was discussed. Unlike (Zn, Cr)S and (Ga, Mn)P, the delta-doping structure of MnxSi1-x only show enhanced ferromagnetic stabilization, while temperature shown HMF is lowered. In the chapter, the magnetism in Si1-xGex and SiC based MSs are also studied. Moreover, the extreme case of the delta-doping structure of Zn-chalcogenides based MSs: TM-sulfides were studied. We find robust HMF in cubic VS, VSe, VTe, CrS, CrSe, and CrTe, and anticipate the potential spintronics application in these ferromagnets.
In chapter five, magnetism in the wide band-gap oxids, ZrO2 and HfO2, based MSs and the spin injection from the materials into mainstream semiconductors were studied. The results indicate that effective spin injection into silicon from ferromagnets incompatible with silicon may be realize by using spin-dependent ballistic hot-electron injection scheme. The results indicate that both (Zr, Mn)O2 and (Hf, Mn)O2 not only show HMF at the Fermi lever, but also show HMF at a large range of hot-electron energy. When (Zr, Mn)O2 and (Hf, Mn)O2 is used as the magnetic filtering in the ballistic hot-electron injection scheme, the electrons spin direction can be modulated by modulating the hot-electron energy. The character may be find use in spin direction controllment.
The magnetism in ZnS, GaP, silicon, and ZrO2 based MSs with different 3d TM impurities was studied also. The results indicate that the magnetism is substantially determined by the impurities atoms. In chapter two, the effects of the structure of the matrix semiconductor and stress on the magnetism of (Zn, Cr)S based MSs were studied also. The results indicate that the higher the symmetry of the matrix semiconductor, the robust the magnetism. Generally, the stress show important impact on the magnetism in magnetic semiconductors. However, the stress shows little effect on the HMF in cubic (Zn, Cr)S. Moreover, the extreme case of the delta-doping structure of Zn-chalcogenides based MSs: TM-sulfides were studied. We find robust HMF in cubic VS, VSe, VTe, CrS, CrSe, and CrTe, and anticipate the potential spintronics application in these ferromagnets.
In chapter two and three, the magnetism in Zn-chalcogenides and III-V based MSs with fair compatibility with silicon was studied. Therein, the results indicate robust HMF in (Zn, Cr)Se, (Ga, Mn)As, (Al, Mn)P, (Al, Mn)As, (Ga, Mn)PxAs1-x, (Ga1-xAlx, Mn)P, and so on. Furthermore, the stidies explored a group of MSs with robust HMF but poor compatible with silicon, such as cubic (Zn, Cr)O, (Zn, Cr)Te, (Ga, Mn)Sb, (Al, Mn)Sb, (In, Mn)Sb, (In, V)N, (In, Cr)N, and so on. The studies indicate potential spintronics application in these MSs.
The studies speculate that the delta-doping may be a solution to the controlment of the aggregation trend of the TM impurities in MSs.
引文
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