Pressure dependence of the energy gaps in diamond-type semiconductors, and their III-V analogues such as InSb

Angilella, G. G. N.; March, N. H.; Howard, I. A.; Pucci, R.

doi:10.1088/1742-6596/121/3/032006

Cited by 7 publications

(5 citation statements)

References 21 publications

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“…In table 4, the values of the band-gap, the effective masses of electrons and holes are calculated at the most stable state of both compounds, as well as under the influence of external pressures ranging up to 30 GPa, The results obtained for the compound KMgF 3 at the equilibrium state using TB-mBJ (GGA) approximations were closer to the experimental values in the work of Heaton et al [50] and the theoretical results obtained by Shakeel et al [51] for AgMgF 3 .Moreover, we also note that the width of the band-gap increases significantly with pressure for KMgF 3 , in contrast to AgMgF 3 where it decreases slightly. This behavior was reported in previous studies [52,53] where they noted the inverse (direct) relation between band-gap energy and the pressure in semiconductor (insulator) compounds, where one can see the energy gaps listed in table (4) indicates that the AgMgF 3 is a semiconductor compound, in contrast, the KMgF 3 is an insulator.…”

Section: Electronic and Optical Propertiessupporting

confidence: 82%

Characterization of structural, dynamic, optoelectronic, thermodynamic, mechanical and thermoelectric properties of AMgF₃ (A = K or Ag) fluoro-perovskites compounds

Essaoud¹,

Azar²,

Mousa³

et al. 2023

Phys. Scr.

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Born effective charges Zi, β α *, dielectric tensors εα,βand the dynamic stability for AgMgF3 and KMgF3 compounds were treated based on the harmonic and quasi-harmonic theory implemented in phonopy code. The band gap for both compounds as well as the effective masses of electrons and holes are calculated at different pressures using the TB-mBJ (GGA) approximation within the framework of the density functional theory. Furthermore, absorption coefficient, refractive index, extinction coefficient, reflectivity, and optical conductivity, for both compounds were calculated. On the other hand, we studied the nature of atomic bonds by the topological distribution of the charge density as well as computing the effective charge of each atom based on the Quantum Theory of Atoms in Molecules (QTAIM) as implemented in Bader code, therefore the ionic type for bonds was explored. The mechanical stability was verified after calculating the elastic ‎behavior at the equilibrium ground-state for both compounds. Thermal properties such as heat capacity at constant volume, entropy, Debye temperature, and thermal expansion coefficient are treated depending on the quasi-harmonic model. They are examined under both pressure and temperature influences. The thermoelectric properties of the compound AgMgF3 showed a high figure of merit (ZT) reached 0.75 at a temperature of 300 K if it was doped with a concentration of 1021 cm-3 of n-type.

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Section: Electronic and Optical Propertiessupporting

confidence: 82%

Characterization of structural, dynamic, optoelectronic, thermodynamic, mechanical and thermoelectric properties of AMgF₃ (A = K or Ag) fluoro-perovskites compounds

Essaoud¹,

Azar²,

Mousa³

et al. 2023

Phys. Scr.

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“…(5, 7 for Ge and 6, 8 for Si) with results shown in Fig. (3 for Ge and 4 for Si) we can see that: 1-Evaluation of the variation of E g with P using the equation given by (Angilella et al, 2008) i.e. Eq.…”

Section: …………………(7)mentioning

confidence: 65%

“…The other approach is to evaluate the variation of E g with pressure using lattice constant a(P), Murnaghan equation of state (EOS), and the the following equation displayed by (Angilella et al, 2008). Eq.…”

Section: Effect Of Pressure and Temperature On The Energy Gapmentioning

confidence: 99%

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Theoretical Study of Energy Gap for Silicon and Germanium Under High Pressure

Hameed¹,

Al-Sheikh²

2011

RJS

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In this study the energy gap (E g) for both silicon and germanium under high pressure and different temperatures is evaluated using two approaches. One of them by evaluating the gradient of (E g) with pressure (dE g /dP), and with temperature (dE g /dT) under different pressures. The other, by using different equation of state (Birch-Murnaghan, Misra-Goyal, Vinet and modified Lennard-Jones) to evaluate the variation of lattice constant with pressure, and then evaluate the variation of (E g) with pressure.

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“…The behavior of the semiconductors under pressure has been a topic of experimental and theoretical study for sometimes (Wei and Zunger,1999-II;Angilella et al, 2008).…”

Section: Theoretical Detailsmentioning

confidence: 99%

Pressure and Temperature Dependence of Energy Gap in SiC and Si1-xGex

Al-Sheikh¹,

Hussien²,

Abdullah³

2019

RJS

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The effect of pressure on energy gap for IV-IV compound SiC and Si 1-x Ge x alloy have been investigated and evaluated by using Birch-Murnaghan equation of state (EOS) and Bardeen equation of state. Ambiguity in the effect of pressure and temperature on E g of different SiC polytypes (3C, 4H, 6H) have been investigated and attributed. Variation of E g in Si 1-x Ge x evaluated and an interpretation, for it, has been suggested.

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Pressure dependence of the energy gaps in diamond-type semiconductors, and their III-V analogues such as InSb

Cited by 7 publications

References 21 publications

Characterization of structural, dynamic, optoelectronic, thermodynamic, mechanical and thermoelectric properties of AMgF₃ (A = K or Ag) fluoro-perovskites compounds

Characterization of structural, dynamic, optoelectronic, thermodynamic, mechanical and thermoelectric properties of AMgF₃ (A = K or Ag) fluoro-perovskites compounds

Theoretical Study of Energy Gap for Silicon and Germanium Under High Pressure

Pressure and Temperature Dependence of Energy Gap in SiC and Si1-xGex

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Pressure dependence of the energy gaps in diamond-type semiconductors, and their III-V analogues such as InSb

Cited by 7 publications

References 21 publications

Characterization of structural, dynamic, optoelectronic, thermodynamic, mechanical and thermoelectric properties of AMgF3 (A = K or Ag) fluoro-perovskites compounds

Characterization of structural, dynamic, optoelectronic, thermodynamic, mechanical and thermoelectric properties of AMgF3 (A = K or Ag) fluoro-perovskites compounds

Theoretical Study of Energy Gap for Silicon and Germanium Under High Pressure

Pressure and Temperature Dependence of Energy Gap in SiC and Si1-xGex

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Product

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Characterization of structural, dynamic, optoelectronic, thermodynamic, mechanical and thermoelectric properties of AMgF₃ (A = K or Ag) fluoro-perovskites compounds

Characterization of structural, dynamic, optoelectronic, thermodynamic, mechanical and thermoelectric properties of AMgF₃ (A = K or Ag) fluoro-perovskites compounds