Theoretical investigation of elastic, electronic, and optical properties of zinc-blende structure GaN under high pressure

The electronic and optical properties of the MgxZn1-xS semiconductor ternary alloys crystallizing in the Zinc Blende structure are calculated using the empirical pseudopotential method (EPM) coupled with the virtual crystal approximation (VCA). The composition dependence of the direct and indirect band gap energies as well as the antisymmetric gap are investigated in the composition range 0 up to 1. Other quantities such as refractive index and coefficient of reflection are also obtained by means of different existing models. Our results are generally in good agreement with those available in the literature. The obtained informations could be useful for the feature design of blue wavelength optoelectronic devices.

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Effects of doping of calcium atom(s) on structural, electronic and optical properties of binary strontium chalcogenides - A theoretical investigation using DFT based FP-LAPW methodology

Solid State Sciences ◽

10.1016/j.solidstatesciences.2017.06.010 ◽

2017 ◽

Vol 71 ◽

pp. 92-110 ◽

Cited By ~ 1

Author(s):

Rahul Bhattacharjee ◽

Surya Chattopadhyaya

Keyword(s):

Optical Properties ◽

Theoretical Investigation ◽

Calcium Atom ◽

Electronic And Optical Properties

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First-principles study of structural, elastic, thermodynamic, electronic and optical properties of cubic boron nitride and hexagonal boron nitride at high temperature and high pressure

Acta Physica Sinica ◽

10.7498/aps.68.20182030 ◽

2019 ◽

Vol 68 (7) ◽

pp. 077102

Author(s):

Chang-Wei Lü ◽

Chen-Ju Wang ◽

Jian-Bing Gu

Keyword(s):

High Pressure ◽

Optical Properties ◽

High Temperature ◽

Boron Nitride ◽

First Principles ◽

Hexagonal Boron Nitride ◽

Cubic Boron Nitride ◽

Electronic And Optical Properties ◽

First Principles Study

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Electronic and optical properties of zinc-blende GeC by first principles study

Modern Physics Letters B ◽

10.1142/s0217984915501031 ◽

2015 ◽

Vol 29 (20) ◽

pp. 1550103

Author(s):

Jinhui Zhai ◽

Jinguang Zhai ◽

Ajun Wan

Keyword(s):

Optical Properties ◽

First Principles ◽

Density Functional ◽

Dielectric Constants ◽

Electronic And Optical Properties ◽

Optical Functions ◽

Zinc Blende ◽

The Density Functional Theory ◽

Valence Bands ◽

Energy Dependent

The electronic and optical properties of zinc-blende (zb)[Formula: see text]GeC have been investigated using first principles calculations based on the density functional theory (DFT). The obtained band gap of zb–GeC is 2.30[Formula: see text]eV by means of Heyd–Scuseria–Ernzerhof (HSE) functional. We have discussed the energy-dependent optical functions including dielectric constants, refractive index, absorption, reflectivity, and energy-loss spectrum in detail. The results reveal that zb–GeC has a higher static dielectric constant compared with that of zb–SiC. The optical functions are mainly associated with the interband transitions from the occupied valence bands (VBs) Ge[Formula: see text][Formula: see text] and C[Formula: see text][Formula: see text] states to Ge[Formula: see text][Formula: see text], [Formula: see text] and C[Formula: see text][Formula: see text] states of the unoccupied conduction bands (CBs).

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Structural, Elastic, Electronic and Optical Properties of Zinc-Blende MTe (M=Zn/Mg)

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201303044 ◽

2013 ◽

Vol 29 (05) ◽

pp. 929-936 ◽

Cited By ~ 5

Author(s):

GUO Lei ◽

◽

HU Ge ◽

FENG Wen-Jiang ◽

ZHANG Sheng-Tao ◽

...

Keyword(s):

Optical Properties ◽

Electronic And Optical Properties ◽

Zinc Blende

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Electrical transport properties of EuTe under high pressure

Journal of Materials Chemistry C ◽

10.1039/d1tc02941j ◽

2021 ◽

Author(s):

Yuqiang Li ◽

Jingxia Liu ◽

Peiguang Zhang ◽

Qiang Jing ◽

Xiaofeng Liu ◽

...

Keyword(s):

High Pressure ◽

Optical Properties ◽

Transport Properties ◽

First Principles ◽

Electrical Transport ◽

Structural Transition ◽

Electrical Transport Properties ◽

Electronic And Optical Properties

The pressure-induced electronic and optical properties of EuTe are investigated up to 35.6 GPa. It is found that EuTe undergoes a pressure-induced NaCl-CsCl structural transition above 13 GPa by first-principles...

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