Pressure coefficient of the PbTe metastable CsCl-type-phase energy gap

Baleva, M.; Mateeva, E.

doi:10.1103/physrevb.50.8893

Cited by 29 publications

(21 citation statements)

References 10 publications

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“…Figure 4a shows the band structure of PbTe in the rock-salt structure at zero pressure. We confirm the observation obtained by experimental [5] and theorical [3,4], studies which locates the gap for the PbTe system at the point L. But the energy gap is found to be 0.53 eV in comparison with experimental energy gap of 0.19 eV. Wei and Zunger obtain a very exact value because they adjusted the energy gap to the experimental value by adding a constant potential to the conduction band states.…”

Section: Electronic Propertiessupporting

confidence: 88%

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Phase transitions of PbTe

Salgueroand

Rodríguez

2004

phys. stat. sol. (c)

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PbTe is a semiconductor with a direct band gap in the L point of the First Brillouin Zone (FBZ) of about 0.2 eV. This semiconductor has been studied in the past decades because it is an important technological material for infrared devices. In this work, the Full Potential Linearized Augmented Plane Wave (FP-LAPW) method has been used in order to study the phase transitions of PbTe. This gives us an idea of the behavior of the electronic structure of the compound under pressure. The study was carried out using the cohesion energy as function of the unit cell volume in both NaCl and CsCl structures. We have examined if a phase transition between these structures is possible. We have obtained a phase transition pressure of 7 GPa, in good agreement with experimental data. We calculated the band structure and the density of states at equilibrium volume of the above mentioned structures. Also, the band structure was calculated at a point immediately before and another after transition. We compare the electronic structure between these points. We found no gaps for the CsCl structure and the material exhibits a metallic behavior.

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Section: Electronic Propertiessupporting

confidence: 88%

“…Initially we investigated the size of the gap in the PbTe(NaCl) structure without the adjustement made by Wei and Zunger [3]. We explore this compound in the CsCl structure in view of recent experiments that proposed a semiconducting phase [5].…”

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confidence: 99%

Phase transitions of PbTe

Salgueroand

Rodríguez

2004

phys. stat. sol. (c)

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“…That is because free energy of formatin of cubic PbTe is less than the high-pressure phase in ambient condition, which is under thermodynamic control. 57,58 In the case of CdTe and ZnTe transformation, however, there should be no special preference for zinc blende and wurtzite in light of a very small difference of free energy of formation between wurtzite and zinc blende structure (7.0 and 6.4 meV for CdTe and ZnTe, respectively). 60 Nevertheless, the major crystal structure of resultant CdTe and ZnTe nanowires was found to be zinc blende, although a small portion of wurtzite-structured products was observed.…”

Section: Resultsmentioning

confidence: 99%

Chemical Transformations in Ultrathin Chalcogenide Nanowires

et al. 2010

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We have studied the chemical transformations in ultrathin chalcogenide nanowires with an aim to understand the parameters that control the morphology and crystal structure of the product. Ultrathin Te nanowires were transformed into Ag2Te nanowires with preservation of the single crystallinity. The Ag2Te nanowires were then converted into CdTe, ZnTe, and PbTe using cation-exchange reactions, and the CdTe nanowires were further transformed into PtTe2 nanotubes. On the basis of the solubility products of the ionic solids, the crystal structures of the involved solids, the reaction kinetics, and the reaction conditions for transformations, we were able to reach the following conclusions: (i) The solubility products of ionic solids can be used as a rough criterion to predict if the transformation is thermodynamically favorable or not. (ii) The morphological preservation of reactant nanowires is more sensitive to the change in length rather than the total volume in addition to the lattice matching between the reactant and product nanowires. (iii) The crystal structure resulting from a transformation should be determined by the free energy of formation and the stability of the products. (iv) The transformation involving small volume change or topotactic lattice matching is considered homogeneous along the entire length of the nanowires, preserving both the single crystallinity and the morphology of the reactant nanowires.

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“…[26,56,57] find no "gapless state" at the NaCl phases and contradict the well-proved dE g /dP coefficients [35]; Ref. [22] suggests the CsCl phase of PbTe to be a semiconductor with a gap (E g ~ 0.19 eV) that is an increasing function of P; the last statement drastically contradicts all other reports [9,26,36,58].…”

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confidence: 86%

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)

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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)

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Pressure coefficient of the PbTe metastable CsCl-type-phase energy gap

Cited by 29 publications

References 10 publications

Phase transitions of PbTe

Phase transitions of PbTe

Chemical Transformations in Ultrathin Chalcogenide Nanowires

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

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