First principles calculation of electronic properties and effective mass of zinc-blende GaN

Based on the first principle pseudopotential plane wave method, the electronic structure of zinc-blende semiconductor GaN is calculated. Using the relativistic treatment of valence states, the spin orbit splitting energy of valence band top near the center of Brillouin region is calculated. Based on the effective mass approximation theory, the effective mass of electrons near the bottom of the conduction band and the effective mass of light and heavy holes near the Γ point along the directions of [100], [110] and [111] are calculated. These parameters are valuable and important parameters of optoelectronic materials.

Download Full-text

First-principles study on composition-dependent properties of quaternary InP1−x−yNxBiy alloys

Modern Physics Letters B ◽

10.1142/s0217984920501110 ◽

2020 ◽

Vol 34 (11) ◽

pp. 2050111

Author(s):

Yingjie Chen ◽

Pengfei Zhu ◽

Liyuan Wu ◽

Xianchun Chen ◽

Pengfei Lu

Keyword(s):

First Principles ◽

Orbit Splitting ◽

Long Wavelength ◽

Co Doping ◽

Spin Orbit Splitting ◽

Device Applications ◽

Energy Formula ◽

Band Absorption ◽

Splitting Energy ◽

Long Wavelength Infrared

The content of bismuth and nitrogen can strongly affect the physical properties of III–V semiconductors and have a decisive impact on their performance in applications. Using first-principles calculations, we systematically study the geometry, electronic and optical properties of [Formula: see text] aligned in special quasirandom structures (SQS). The incorporation of a small amount of N and Bi can effectively tune the band gap of pristine InP. For the same number of P atoms being substituted, co-doping mode reduced the bond length disparity and the corresponding formation energy was also smaller than that of only nitrogen doped. Since the bismuth doped increases spin-orbit splitting energy [Formula: see text], the Auger recombination and intervalence band absorption (IVBA) processes are found to be suppressed for quaternary [Formula: see text] (4.40 [Formula: see text]m), [Formula: see text] (12.04 [Formula: see text]m) and [Formula: see text] (9.12 [Formula: see text]m) alloys, which provides new feasibility in the future mid-wavelength infrared and long-wavelength infrared (MWIR/LWIR) device applications.

Download Full-text

GaAs1–xBix: spin orbit splitting energy

New Data and Updates for III-V, II-VI and I-VII Compounds - Landolt-Börnstein - Group III Condensed Matter ◽

10.1007/978-3-540-92140-0_94 ◽

2010 ◽

pp. 121-121

Author(s):

E. C. Fernandes da Silva

Keyword(s):

Spin Orbit ◽

Orbit Splitting ◽

Spin Orbit Splitting ◽

Splitting Energy

Download Full-text

Cuprous iodide (gamma-CuI) spin-orbit splitting energy

II-VI and I-VII Compounds; Semimagnetic Compounds - Landolt-Börnstein - Group III Condensed Matter ◽

10.1007/10681719_63 ◽

2005 ◽

pp. 1-2

Author(s):

Keyword(s):

Spin Orbit ◽

Orbit Splitting ◽

Spin Orbit Splitting ◽

Splitting Energy

Download Full-text

The Effect of Spin-Orbit Splitting on the Third-Order Nonlinear Optical Susceptibility in CdSe/ZnS Quantum Dot Materials

Materials Science Forum ◽

10.4028/www.scientific.net/msf.663-665.158 ◽

2010 ◽

Vol 663-665 ◽

pp. 158-161

Author(s):

Chun Jing Yu ◽

Xiao Zhen Guo ◽

Duan Zheng Yao

Keyword(s):

Quantum Dot ◽

Nonlinear Optical ◽

Spin Orbit ◽

Third Order ◽

Orbit Splitting ◽

Nonlinear Optical Susceptibility ◽

The Third ◽

Mass Approximation ◽

Optical Susceptibility ◽

Spin Orbit Splitting

The nonlinear optical susceptibility with inter-subband transitions between conduction band and valence band is theoretically calculated for CdSe/ZnS core-shell quantum dot (QD). Under the effective-mass approximation, the eigenenergy and wavefunction of electrons and holes have been calculated by solving stationary Schrödinger equation. The third-order nonlinear optical susceptibilities χ(3) of quadratic electro-optic effects (QEOE) have been also calculated in the case that spin-orbit splitting is considered.

Download Full-text

Время жизни неравновесных носителей заряда в полупроводниках с близкими значениями запрещенной зоны и спин-орбитального отщепления

Журнал технической физики ◽

10.21883/ftp.2019.04.47437.9004 ◽

2019 ◽

Vol 53 (4) ◽

pp. 450

Author(s):

Н.Л. Баженов ◽

К.Д. Мынбаев ◽

А.А. Семакова ◽

Г.Г. Зегря

Keyword(s):

Solid Solutions ◽

Recombination Rates ◽

Orbit Splitting ◽

Carrier Lifetimes ◽

Radiative Processes ◽

Spin Orbit Splitting ◽

Temperature Dependences ◽

Splitting Energy ◽

Gap Width ◽

Band Gap Width

AbstractExpressions for the Auger- and radiative-recombination rates are derived in terms of Kane’s model for materials with a band-gap width close to the spin-orbit splitting energy, which is the case for InAs, InAsSb solid solutions, etc. Our results are compared with simplified expressions for recombination rates, frequently used in publications. It is shown that the nonparabolicity of the electronic structure should be taken into account in calculations of the recombination rates. As an example, the temperature dependences of the charge-carrier lifetimes governed by radiative and non-radiative processes are calculated for InAsSb solid solutions.

Download Full-text