Structural, electronic, and optical properties of AlNxSb1−x alloys through TB–mBJ–PBEsol: DFT study

Bentayeb, A.; Khodja, F. Driss; Chibani, Siwar; Marbouh, N.; Bekki, Belmorsli; Khalfallah, B.; Elkeurti, Mohammed

doi:10.1007/s10825-019-01338-y

Cited by 11 publications

(12 citation statements)

References 47 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Semiconductors have long been essential to the development of new technologies, including photo detectors [1], solar cell devices and LEDs (light emitting diodes) [1]. III-V semiconductor have generated significant interest among the diverse contenders due to its numerous technological advancements in a variety of applications, such as high-speed electronics and optoelectronic devices [2]. These semiconductors show crystalline behavior in both wurtzite phase and zinc blende (ZB).…”

Section: Introductionmentioning

confidence: 99%

“…These semiconductors show crystalline behavior in both wurtzite phase and zinc blende (ZB). However, majority the semiconductors of group III and group V consist of ZB (Zinc Blend) structure [2]. The group III-V family shows the band gape 2.5 eV or below.…”

Section: Introductionmentioning

confidence: 99%

“…The group III-V family shows the band gape 2.5 eV or below. Due to this special feature as wide band gap, low effective electronic mass, high thermal conductivity, high electric field, high electronic mobility [3] and strong resistance to radiation these materials are considered to have great interest in the semiconductor industry [2][3].Zinc blend crystalline aluminum antimonide (AlSb) belongs to indirect band gap semiconductor material with 1.669 indirect band gap value [6] and a lattice parameter of 6.135 (Å) [7].This small band gap suppresses radiative recombination and gives the electron-hole pair more time for detection. Also due to their high electronic mobility AlSb are widely used to make other electronic devices for high temperature applications as p-n junctions, diodes, laser, solar spectrum absorption [8] the potential absorber and commonly suitable for solar energy devices [9] Recently, Dhakal et al prepared fine AlSb by suppetring of aluminum and antimony together and showed that the binary alloy AlSb is a promising photovoltaic material [7].Tang et al investigated the structural , electronic (represents the band gape) and optical properties of binary alloy AlSb thin film deposited by laser deposition.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Computational Correlation analysis of In-doped Aluminium Antimonide Alloy for Optoelectronic Applications: A First Principle Study

Nabi

Anwar

Ahmad

et al. 2023

Preprint

View full text Add to dashboard Cite

The first Principle calculations are made to study the structural electronic and optical properties for indium doped aluminum antimonide. The most appropriate method of density functional theory (DFT) naming Full Potential Linearized Augmented Plane Wave (FP-LAPW) is used. The structural properties like Lattice constant (a), pressure derivative, bulk modulus (B) examined by Local density approximation (LDA) along with generalized gradient approximation (GGA). Generalized gradient approximation along with TB-mBJ is used to determine electronic parameters like band structure along and density of states. According to the computed results the binary compound AlSb is optically inactive and exhibits an indirect (Γ -L) band gap. By increasing the concentration of indium with different percentages, the indirect band gape shifted to direct (Γ – Γ) band gap which shows material is optically active. The optical properties of material including dielectric (Real and imaginary part) constant, reflectivity, refractive index, energy loss, absorption coefficient, and optical conductivity have changed significantly. Electronic and optical properties are modified by (TB-mBJ) approach. The results obtained are examined with experimental data and utilized as a starting point to propose that the material is the superlative choice for optoelectronic devices/applications.

show abstract

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Computational Correlation analysis of In-doped Aluminium Antimonide Alloy for Optoelectronic Applications: A First Principle Study

Nabi

Anwar

Ahmad

et al. 2023

Preprint

View full text Add to dashboard Cite

show abstract

“…Semiconductors have long been essential to the development of new technologies, including photo detectors [1], solar cell devices and LEDs (light emitting diodes) [2]. III-V semiconductor have generated significant interest among the diverse contenders due to its numerous technological advancements in a variety of applications, such as high-speed electronics and optoelectronic devices [4]. These semiconductors show crystalline behavior in both wurtzite phase and zinc blende (ZB).…”

Section: Introductionmentioning

confidence: 99%

“…These semiconductors show crystalline behavior in both wurtzite phase and zinc blende (ZB). However, majority the semiconductors of group III and group V consist of ZB (Zinc Blend) structure [4]. The group III-V family shows the band gape 2.5 eV or below.…”

Section: Introductionmentioning

confidence: 99%

Computational Correlation analysis of In-doped Aluminium Antimonide Alloy for Optoelectronic Applications: A First Principle Study

Nabi

Anwar

Ahmad

et al. 2022

Preprint

View full text Add to dashboard Cite

The first Principle calculations are made to study the structural electronic and optical properties for indium doped aluminum antimonide. The most appropriate method of density functional theory (DFT) naming Full Potential Linearized Augmented Plane Wave (FP-LAPW) is used. The structural properties like Lattice constant (a), pressure derivative, bulk modulus (B) examined by Local density approximation (LDA) along with generalized gradient approximation (GGA). Generalized gradient approximation along with TB-mBJ is used to determine electronic parameters like band structure along and density of states. According to the computed results the binary compound AlSb is optically inactive and exhibits an indirect (Γ -X) band gap. By increasing the concentration of indium with different percentages, the indirect band gape shifted to direct (Γ – Γ) band gap which shows material is optically active. The optical properties of material including dielectric (Real and imaginary part) constant, reflectivity, refractive index, energy loss, absorption coefficient, and optical conductivity have changed significantly. Electronic and optical properties are modified by (TB-mBJ) approach. The results obtained are examined with experimental data and utilized as a starting point to propose that the material is the superlative choice for optoelectronic devices/applications.

show abstract

An ab initio study of the structural and optoelectronic properties of AlxGa1−xN (x = 0, 0.125, 0.375, 0.625, 0.875, and 1) semiconductors

et al. 2019

View full text Add to dashboard Cite

Structural, electronic, and optical properties of AlNxSb1−x alloys through TB–mBJ–PBEsol: DFT study

Cited by 11 publications

References 47 publications

Computational Correlation analysis of In-doped Aluminium Antimonide Alloy for Optoelectronic Applications: A First Principle Study

Computational Correlation analysis of In-doped Aluminium Antimonide Alloy for Optoelectronic Applications: A First Principle Study

Computational Correlation analysis of In-doped Aluminium Antimonide Alloy for Optoelectronic Applications: A First Principle Study

An ab initio study of the structural and optoelectronic properties of AlxGa1−xN (x = 0, 0.125, 0.375, 0.625, 0.875, and 1) semiconductors

Contact Info

Product

Resources

About