能带和能带隙的原理

如题所述

可以证明每条能带中能级的条数是固体中原子(对晶体而言是晶胞)个数的2倍。诸原子中的电子可以以不同的方式占据各能级。按照被电子不同的占有情况,能带可分为价带、满带、空带、导带。完全被电子占据的能带称为满带,完全未被占据的称为空带,部分被占据的称为导带,价电子占据的称为价带。价带可以是满带,也可以是导带。
能带被电子占据的方式决定了介质的导电性能。若一介质有导带存在,那么在不大的外加电场(不至于使原子结构被破坏)的作用下,导带内的电子会在该带内发生跃迁。这种跃迁所需的能量甚小。由于该带内诸能级对应的动量不同,跃迁的结果使得电子系的总动量发生连续改变,因而形成宏观定向移动。这种介质就是导体。绝缘体是无导带的介质。由于绝缘体中只存在满带和空带,因而电子的跃迁只能在不同能带之间进行,这种跃迁需要的能量较大,一般不容易发生,这就是绝缘体通常不导电的原因。若外加电场足够强,则可发生这种不同能带之间的跃迁,而这时,绝缘介质的内部结构已被破坏(被击穿)。
能带理论的最大成就是它能够解释半导体现象。原来在半导体中,能带也是满带,但是一个满带和空带之间的能隙很小,或者有交叠。这样它就容易在外界作用(如光照、升温等)下发生跃迁而形成两个导带,从而发生导电现象。但它的导电性能比导体要差得多。
能带结构理论是在自由电子模型的基础上发展起来的。在这方面作出巨大贡献的主要人物是布洛赫,他在1928年提出了能带结构理论,实现了固体物理的一大进步,为半导体物理的发展打下了理论基础。然而这个理论也有它的局限性。对电子之间的相互作用问题,原子内层电子被强束缚的情形,这个理论就无能为力了。 1.Zinc oxide is a II-IV wide band-gap (3.37eV) compound semiconductor with wurtzite crystal structure.
氧化锌(ZnO)是一种具有六方结构的的宽禁带Ⅱ-Ⅳ族半导体材料,室温下能带带隙Eg为3.37eV。
2.Optical transmission measurements show that the nc-Si p-layer has a wide bandgap of 1.96 eV, due to the quantum confinement effects (QCE).
光学透视测量表明,由于量子尺寸效应,纳米硅P层具有宽的能带隙(1.96eV)。
3.With 3,4-dinitrothiophene units as electron-acceptors, thiophene and phenylene units as electron-donors, a low band gap polymer, PDTNTBQ, were synthesized. Due to its poly(heteroarylene methins) backbone, it also has alternating aromatic and quinoid thiophene segments in the main chain. PDTNTBQ has optical and electrochemical band gap of 1.46eV and 1.77eV, respectively.
以3,4—二硝基噻吩作为电子受体,噻吩、苯单元作为电子给体,制得了主链中同时含有醌式结构和电子给体一受体交替单元的低能带隙聚合物PDTNTBQ,其光学能带隙为1.46eV、电化学能带隙为1.77eV。
4.Spectroscopic ellipsometry indicates that the quantum effect of ZnO quantum dot leads to the fact that the absorption energy of exciton(3.76 eV) is bigger than the band gap of bulk ZnO.
SE表征发现ZnO量子点的量子效应导致了ZnO量子点的激子吸收能(3.76eV)比ZnO体晶的能带隙(3.37eV)大。
5.The direct-and indirect-band gaps are equal to 3.53 and 3.80 eV,respectively. The complex dielectric function and optical constants,such as optical conductivity spectra,absorption coefficient,refractive index,extinction coefficient,energy-loss spectrum and reflectivity,are calculated. Distinct interband transitions are observed around 8.45 and 12.27 eV corresponding O 2p→Zr 4d T2g and O 2p→Zr 4d Eg transitions.
SrZrO3的直接带隙及间接带隙的大小分别为3.53,3.80 eV,同时基于电子能带结构对SrZrO3的光导率、介电函数、反射谱、吸收谱、能量损失谱、折射系数和湮灭系数等光学性质进行分析,表明光导率在8.45,12.27 eV处存在O 2p→Zr 4d T2g及O2→44的带间跃迁。
6.Optical absorption spectra are measured for pure BTO and Al-doped BTO by using UV-300. At room temperature,pure BTO absorption spectrum shows a broad absorption band when photon energy is between 2.2~3.2eV,which implies an indirect band-to-band energy gap about 2.2eV below the conduction band.
用自动分光光度计测量自己生长的光折变晶体钛酸铋(BTO)光吸收谱.结果表明,室温下纯BTO晶体的吸收谱在2.2~3.2eV之间存在一个宽吸收峰,说明在晶体的带隙内存在一个间接跃迁能级,离导带顶大约2.2eV;
7.For the binary CrS, our computational results indicate that the spin-up(majority spin) electrons of zincblende CrS are metallic while there is an obvious energy gap around the Fermi level.
对于二元化合物CrS , 我们的计算发现zincblende 相的CrS 的自旋向上(majority-spin)的电子的能带是金属性的,而自旋向下(minority-spin)电子的能带在费米(Fermi)面附近有一个明显的能隙(Energy gap)。
8.The average Fermi energy limit for 6k points is-12.45eV. The band gap at the edge of the first Brillouin Zone is 2.31eV. It shows that cellulose trinitrate has an electric conductivity similar to a semiconductor.
六个k点下的平均Fermi能界为-12.45eV。 在第一Brillouia区边缘的带隙为2.31eV,表明纤维素三硝酸酯具有与半导体类似的导电性。
9.The absorption coefficient,band gap and activation energy of these crystallized a-Si_xC_(1-x):H films decrease whilethe dark conductivity increases.
晶化后的a-Si_xC_(1-x):H膜光吸收系数、光学带隙和电导激活能下降,室温电导率增加.
10.The Tight-Binding method is employed to calculate the energy bands of cubic BN. In this calculation, four Slater orbitals per atom was taken as basis along with an empirical pseudopotential Hamiltonian were used. Numerical results show that the principal energy gaps and valence-band width are in agreement with Tsay et al.
本文用紧束缚方法计算了立方BN的能带结构,计算中采用了每原子四个Slater轨道为基函数和经验赝势哈密顿,计算结果表明,主要能隙和价带宽与Tsay等的结果比较,符合较好

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