Calculated band structures and optical properties of lead chalcogenides PbX (X=S, Se, Te) under hydrostatic pressure

Rached, D.; Rabah, M.; Benkhettou, N.; Driz, M.; Soudini, B.

doi:10.1016/s0921-4526(03)00443-5

Cited by 22 publications

(11 citation statements)

References 32 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[17] found PbS to be CrB-structured (the Cmcm space group). Many other studies also contributed to this discussion [18][19][20][21][22][23][24][25][26][27]. Very recently, two research groups convincingly refined the X-ray diffraction patterns of the intermediate phase of PbTe in the Pnma symmetry, both for binary at 6-7 GPa [28], and for ternary and nonstoichiometric compounds in the whole proposed range of stability to 14 GPa [29,30] (Fig.…”

mentioning

confidence: 89%

Unusual B1–B2 transition in PbSe under high pressure: evidence for two intermediate phases; transport, structural, and optical properties

Ovsyannikov¹,

Shchennikov²,

Manakov³

et al. 2009

Physica Status Solidi (b)

View full text Add to dashboard Cite

We report the results of a study of the thermoelectric power (Seebeck effect), the electrical resistivity, X‐ray diffraction, and Raman spectroscopy under high pressure (P) to 15 GPa for binary and tin‐doped lead selenide (PbSe and Pb1–x Snx Se (x = 0.125)). The gathered data were inconsistent with previous models suggesting only one intermediate phase between the ambient NaCl (B1) lattice and a high‐pressure metal CsCl (B2) lattice. Furthermore, the data hint at the existence of two competing intermediate phases. From the thermopower we established that a phase that is characterized by n‐type conductivity is dominating, while the other one – of p‐type conductivity is probably optional. The electrical conductivity in both of the phases is semiconducting. In the X‐ray diffraction studies in one of the three investigated samples of Pb0.875Sn0.125Se we could refine a pattern of the intermediate phase taken at ∼9.5 GPa in the Cmcm space group. This corresponds to the symmetry of earlier proposed structural types of TlI and CrB. The patterns of the intermediate phase in the two other samples show additional strong reflexes that are not related to either the NaCl or the CsCl lattices. This presents evidence of the presence of one more undetermined phase. The Raman spectra of the intermediate phase showed a dependence on a pressure‐transmitting medium (methanol‐ethanol or KCl). The pressure‐driven NaCl → CsCl transition and a pressure dependence of the semiconductor energy gap of PbSe are compared with those of other lead salts, namely, PbTe and PbS (galena). It is surmised that there is no interrelation between the closure of the energy gap at the NaCl phase and the phase transition to the intermediate phase. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

show abstract

mentioning

confidence: 89%

Unusual B1–B2 transition in PbSe under high pressure: evidence for two intermediate phases; transport, structural, and optical properties

Ovsyannikov¹,

Shchennikov²,

Manakov³

et al. 2009

Physica Status Solidi (b)

View full text Add to dashboard Cite

show abstract

“…8 Similarly, various results have been obtained when using different theoretical calculations. [13][14][15][16][17][18][19][20][21] Using first principles total energy calculations the intermediate phase was reported to be a TlI-type structure (Cmcm, B33) by Ahuja. 16 However, Bencherif et al used ab initio electronic structure calculations and found that the intermediate phase is likely an orthorhombic Pnma structure rather than GeS-(Pbnm, B16) or B33 structures, and they predicted that PbS undergoes a phase transition from the B1 to an intermediate phase at 8.…”

Section: Introductionmentioning

confidence: 99%

Structures of two intermediate phases between the B1 and B2 phases of PbS under high pressure

Lin

et al. 2014

AIP Advances

View full text Add to dashboard Cite

The structural transitions of PbS were investigated at pressures up to 50 GPa using synchrotron powder and single crystal X-ray diffraction (XRD) methods in diamond anvil cells. We found two intermediate phases between the B1 phase under atmospheric pressure and the B2 phase at 21.1 GPa, which is different to previous reports. The structures of these two intermediate phases were indexed as B27 and B33, respectively. Their structural parameters were investigated using density functional theory (DFT) calculations. Our results provide a new insight into understanding the transition pathway between the B1 and B2 phases in PbS.

show abstract

“…For the calculations, we have used the full-potential linear muffin-tin orbital (FP-LMTO) method augmented by a plane-wave basis (PLW), implemented in Lmtar code [23][24][25]. The effects of the approximations to the exchange-correlation energy were treated by the local density approximation (LDA).…”

Section: Resultsmentioning

confidence: 99%

“…In our previous publication [22], we were interested to the investigation of the structural, electronic and optical properties of Si, Ge, and Si 1-x Ge x for different compositions using the full-potential linear muffin-tin orbital (FP-LMTO) method augmented by a plane-wave basis (PLW), implemented in Lmtar code [23][24][25]. All the obtained results showed that the weakly strained G-rich SiGe layers possess very promising properties for both electronic and optical applications.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Investigation of Electronic and Optical Properties of Si/SiGe Quantum Cascade Structures

Zellat¹,

Soudini²,

Cheikh³

2013

AMPC

View full text Add to dashboard Cite

This paper reviews the basic properties of the SiGe alloy, presents some new results on its electronic and optical properties, and discusses the approach that has been followed to model quantum wells containing SiGe layers for applications in quantum cascade lasers. The shape of the confining potential, the subband energies and their eigen envelope wave functions are calculated by solving a one-dimensional Schrödinger equation. The calculations of optical parameters are used to optimize the Si/SiGe quantum cascade structures. Our results are found to be in good agreement with other calculations.

show abstract

Calculated band structures and optical properties of lead chalcogenides PbX (X=S, Se, Te) under hydrostatic pressure

Cited by 22 publications

References 32 publications

Unusual B1–B2 transition in PbSe under high pressure: evidence for two intermediate phases; transport, structural, and optical properties

Unusual B1–B2 transition in PbSe under high pressure: evidence for two intermediate phases; transport, structural, and optical properties

Structures of two intermediate phases between the B1 and B2 phases of PbS under high pressure

Theoretical Investigation of Electronic and Optical Properties of Si/SiGe Quantum Cascade Structures

Contact Info

Product

Resources

About