非磁性杂质对gossamer超导体局域态密度的影响

从t-J-U模型出发,利用Gutzwiller近似和Bogoliubov-de Gennes(BdG)方程对CuO2平面外和平面内同时存在非磁性杂质时对gossamer超导体电子局域态密度的影响进行了研究。结果表明,在远离杂质点处电子局域态密度呈现出典型的非对称性。当平面内杂质不是很强时,平面外杂质使其附近超导能隙变小,但是并没有明显破坏超导。而由于平面内外同时存在的杂质而导致CuO2平面内电子的分布在更大范围内在纳米尺度上存在着显著的不均匀性。     

多个非磁性杂质对铜氧化物高温超导体局域态密度影响的研究

在t-J-U模型下,应用Gutzwiller平均场近似及Bogoliubov-de Gennes(BdG)理论研究了CuO2平面内多个非磁性杂质对铜氧化物高温超导体电子局域态密度的影响。结果表明,在远离杂质点处电子局域态密度呈现出典型的非对称性,而在杂质点附近由于杂质的存在产生零能量诱导峰,同时超导相干峰受到强烈抑制。随着杂质间距的增大,杂质点附近超导相干峰受到的抑制逐渐变小,同时零能量诱导峰的强度也随着变小。     

磁性杂质在铁基超导体中引起的隙内束缚态

基于两轨道四带紧束缚模型,研究铁基超导体中单个磁性杂质对局域态密度的影响,并得到杂质共振峰的高度、位置与混合势的关系.在杂质点附近,在一定的磁性杂质势下存在零能共振峰,超导相干峰也受到抑制.随着磁性势的变化,零能共振峰发生劈裂.发现在非磁性势V_s一定、磁性势V_m=|V_m|时,局域态密度曲线基本相同,并且在一定的杂质势范围内正负能侧杂质共振峰是对称的,也注意到局域态密度显示较强的磁性或非磁性杂质势的特征.     

铁基超导体中非磁性杂质引起的隙内束缚态

铁基超导体中单个非磁性杂质引起的隙内束缚态可以用来区分S-波和S±-波配对对称性.基于一个两轨道四带紧束缚模型,研究在具有S±-波配对对称性的铁基超导体中单个非磁性杂质对局域态密度的影响,获得杂质共振峰的高度、位置与杂质势的关系.发现在一定的杂质势范围内正、负能侧杂质共振峰出现的位置是对称的,当V_S0.40eV时,正能侧的共振峰分裂为2个峰,V_S=0.70eV附近区间,在次近邻点上的局域态密度中可以观察到4个明显的杂质共振峰,分别位于ω=±3.4meV和ω=±2.2meV处,像这样的隙内束缚态可以通过扫描遂穿实验直接观测.     

铁磁/超导结中铁磁性和超导电性的共存

利用BTK理论以及Nambu自旋格林函数方法计算了铁磁/超导结中的准粒子局域态密度(DOS).计算结果表明在铁磁一侧界面附近超导邻近效应引起了具有超导特征的准粒子局域态密度,而在超导一侧界面附近由反邻近效应引起了自旋相关的DOS,即呈现了一定的磁性.由此判断在结的界面附近有铁磁性和超导电性的共存现象.     

点杂质对于具有S波配对势的扶手椅型石墨烯纳米带性质的影响

基于BCS理论,在紧束缚近似下,通过求解Bogoliubov-de Gennes(BdG)方程,自洽地计算了扶手型石墨烯纳米带中s波超导配对势随空间变化的分布情况.讨论了单个点杂质分别处于边界点和内部点时对于体系超导性质的影响,还进一步给出了杂质点处的局域态密度( LDOS)随杂质位置和强度的变化.     

锐钛矿型TiO2空位缺陷性质的第一性原理研究

近年来运用减小TiO2禁带宽度的方法来提高TiO2的活性在实验上被广泛研究。本文运用基于局域密度泛函和赝势的第一性原理方法研究了锐钛矿相TiO2点空位缺陷性质和在具有点空位缺陷情况下的晶体结构、能带结构与态密度状况。分析发现缺陷使晶体结构发生畸变;近邻缺陷氧原子有靠近氧空位而远离钛空位的趋势,而近邻缺陷钛原子有靠近钛空位而远离氧空位的趋势;氧空位缺陷使费迷能级升高大约2．6eV而钛空位缺陷使费米能级降低,并在价带顶部产生一个与价带顶能量相差约0．25eV的杂质能级。结果表明,氧空位使导带变宽是n型杂质而钛空位使导带变窄是P型杂质,氧空位附近多余电子的主要贡献在价带,引起电荷布居数变化并改变了晶体中电子局域化运动的性质。     

锐钛矿型TiO_2空位缺陷性质的第一性原理研究

近年来运用减小TiO2禁带宽度的方法来提高TiO2的活性在实验上被广泛研究.本文运用基于局域密度泛函和赝势的第一性原理方法研究了锐钛矿相TiO2点空位缺陷性质和在具有点空位缺陷情况下的晶体结构、能带结构与态密度状况.分析发现缺陷使晶体结构发生畸变;近邻缺陷氧原子有靠近氧空位而远离钛空位的趋势,而近邻缺陷钛原子有靠近钛空位而远离氧空位的趋势;氧空位缺陷使费迷能级升高大约2.6 eV而钛空位缺陷使费米能级降低,并在价带顶部产生一个与价带顶能量相差约0.25 eV的杂质能级.结果表明,氧空位使导带变宽是n型杂质而钛空位使导带变窄是p型杂质,氧空位附近多余电子的主要贡献在价带,引起电荷布居数变化并改变了晶体中电子局域化运动的性质.     

钇钡铜氧超导体表面电子特性研究

基于散射理论的格林函数方法，采用三近邻紧束缚模型描述超导氧化物YBCO的体电子结构，对YBCO（001）表面的3种可能截断的铜氧表面电子结构进行了计算，计算结果表明，相对于体电子结构特征，理想截断的CuO表面，其表面电子结构和体电子结构的差别较大，突出表现为在费米能级附近态密度有很大减少，相反，对另外两种理想截断的CuO2表面，没有表现出这种差别，计算给出了表面投影能带结构和表面角分辨的能级谱，并将这些计算结果同已有实验结果作了比较。     

非磁性杂质对碳纳米管态密度的影响研究

针对非磁性杂质对碳纳米管的影响问题作了系统理论的分析,为设计和实现具有优良性能的基于碳纳米管的量子器件提供理论依据.应用格林函数方法计算态密度的结果表明,单个点缺陷在碳纳米管中引起准束缚态;给出准束缚态能级和峰宽的解析公式,分析它们与碳纳米管手型和直径之间的关系;逐点计算局域态密度发现,在实空间准束缚态是一个非常局域化...     

Interplay of magnetism and high-Tc superconductivity at individual Ni impurity atoms in Bi2Sr2CaCu2O8+delta.

Magnetic interactions and magnetic impurities are destructive to superconductivity in conventional superconductors. By contrast, in some unconventional macroscopic quantum systems (such as superfluid 3He and superconducting UGe2), the superconductivity (or superfluidity) is actually mediated by magnetic interactions. A magnetic mechanism has also been proposed for high-temperature superconductivity. Within this context, the fact that magnetic Ni impurity atoms have a weaker effect on superconductivity than non-magnetic Zn atoms in the high-Tc superconductors has been put forward as evidence supporting a magnetic mechanism. Here we use scanning tunnelling microscopy to determine directly the influence of individual Ni atoms on the local electronic structure of Bi2Sr2CaCu2O8+delta. At each Ni site we observe two d-wave impurity states of apparently opposite spin polarization, whose existence indicates that Ni retains a magnetic moment in the superconducting state. However, analysis of the impurity-state energies shows that quasiparticle scattering at Ni is predominantly non-magnetic. Furthermore, we show that the superconducting energy gap and correlations are unimpaired at Ni. This is in strong contrast to the effects of non-magnetic Zn impurities, which locally destroy superconductivity. These results are consistent with predictions for impurity atom phenomena derived from a magnetic mechanism.     

d密度波导体中Wiedemann-Franz定律的研究

运用量子统计的格林函数方法和费曼图技术,在自洽T矩阵近似下研究二维d密度波的非磁性杂质散射效应,并计算出直流电导率和热导率,推导出在低温和弱掺杂的情况下Wiedemann-Franz(WF)定律成立.     

Imaging the granular structure of high-Tc superconductivity in underdoped Bi2Sr2CaCu2O8+delta.

Granular superconductivity occurs when microscopic superconducting grains are separated by non-superconducting regions; Josephson tunnelling between the grains establishes the macroscopic superconducting state. Although crystals of the copper oxide high-transition-temperature (high-Tc) superconductors are not granular in a structural sense, theory suggests that at low levels of hole doping the holes can become concentrated at certain locations resulting in hole-rich superconducting domains. Granular superconductivity arising from tunnelling between such domains would represent a new view of the underdoped copper oxide superconductors. Here we report scanning tunnelling microscope studies of underdoped Bi2Sr2CaCu2O8+delta that reveal an apparent segregation of the electronic structure into superconducting domains that are approximately 3 nm in size (and local energy gap <50 meV), located in an electronically distinct background. We used scattering resonances at Ni impurity atoms as 'markers' for local superconductivity; no Ni resonances were detected in any region where the local energy gap Delta > 50 +/- 2.5 meV. These observations suggest that underdoped Bi2Sr2CaCu2O8+delta is a mixture of two different short-range electronic orders with the long-range characteristics of a granular superconductor.     

拓扑绝缘体与低维超导体的电输运特性

拓扑绝缘体这种具有新奇量子特性的物质和具有百余年研究历史的超导体都是当前凝聚态物理学领域的研究热点．本文简要介绍了拓扑绝缘体、超导体的研究背景和基本特性,重点回顾了拓扑绝缘体、超导薄膜及纳米桥、超导纳米线以及纳米尺度下拓扑绝缘体．超导异质结构的电输运特性．并对该领域的进一步发展做出了展望．     

论《三国演义》之“义”与情节的关系

＂义＂是《三国演义》的一条贯串始终的线索,与情节的关系十分密切。它是情节发展的依据,为情节的发展埋下伏笔,并在＂义＂的对比和前后照应中推进情节的发展,显示情节发展的结果。＂义＂与情节在小说结构上浑然一体。     

掺Cu的RECo5型金属间化合物的电子结构

基于合金元素的晶位占据特性,本文提出了一个用于研究非磁性元素Cu作用机制的模型体系,计算了它们的电子结构。结果表明:Cu置换2c晶位Co导致体系能谱向浅势阱移动,能隙减小,原子间电荷重新分布,并产生了新的由杂质贡献的态;分波局域态密度给出了体系中各原子间的轨道相互作用。对Hellmman-Feynman力的分析表明:Cu置换2c晶位Co显著降低了体系的热膨胀各向异性。     

Re-Os isotope geochemistry of three Chinese chondrites

Three Chinese ordinary chondrites,including Jilin (H5),Boxian (LL3.8) and Lujiang (LL6),have been studied for their Re and Os abundances and Os isotopic composition in whole-chondrite samples,separated magnetic and nonmagnetic fractions,and nodules. The results indicate that the Re and Os abundances of the whole-chondrite samples are in the ranges of corresponding H-and LL-Groups,respectively. The Re and Os abundances of magnetic fraction from Boxian and Lujiang are within the range of high-Os ⅡAB and ⅢAB irons,whereas those of nonmagnetic fractions of Boxian and Lujiang are lower than the whole-chondrite values. The Re and Os abundances of nodules in Jilin are in the range of the LL-Group. 187Re/188Os and 187Os/188Os ratios of the three whole chondrites are in the range of ordinary chondrites which locate around the isochron of ⅡAB ⅢAB irons. 187Re/188Os and 187Os/188Os ratios of the magnetic and nonmagnetic fractions from Boxian have a larger difference. The nonmag-netic fraction of Lujiang may contain a recent addition of Re,which causes deviation of the 187Re/188Os ratio from the irons isochron. The Re and Os abundances of nodules in Jilin are lower than those of the whole-chondrite,but their 187Os/188Os ratios are higher than that of the whole chondrite.     

La/S共掺杂对锐钛矿相TiO2电子结构的影响

采用基于密度泛函理论的第一性原理对La/S共掺杂前后锐钛矿相TiO2的晶格参数、电荷布居以及电子结构进行了计算.结果表明：La/S共掺杂导致TiO2晶格膨胀并减小了锐钛矿相TiO2的禁带宽度,同时在TiO2禁带之内引入了局域态的杂质能级,这些杂质能级可以充当电子从价带到导带跃迁的＂桥梁＂以减小激发光子的能量从而提高太阳光的利用率.为实验上合成的La/S共掺杂TiO2可见光催化剂提供了一定的理论基础.