Spectroscopic investigations of CdS at high pressure

Zhao, Xiaonan; Schroeder, John; Bilodeau, Thomas G.; Hwa, Luu–Gen

doi:10.1103/physrevb.40.1257

Cited by 50 publications

(27 citation statements)

References 13 publications

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“…Corll reported that the phase transition pressures are very approximately at 3.1 GPa (ZB-RS), 2.5 GPa (WZ-RS), and 2.8 GPa (WZ-ZB mixes -RS), respectively [10]. Using the resonant Raman scattering tuned by pressure, Zhao et al and Venkateswaran et al reported that the phase transition of CdS from a direct-gap WZ to an indirect-gap RS-structure at about 2.7 GPa [11] and 2.5 GPa [12]. Knudson et al investigated the WZ-RS phase transition of CdS using picosecond time-resolved electronic spectroscopy in plate impact shock wave experiments [13].…”

Section: Introductionmentioning

confidence: 99%

“…During the past few decades, the investigations of phase transitions have attracted considerable attention by experiments [8][9][10][11][12][13][14][15]. The pioneering study of optical-absorption edge of CdS under pressure indicated that the phase transition (WZ-RS) occurs at about 2.7 GPa [8].…”

Section: Introductionmentioning

confidence: 99%

“…As a group IIB-VIA semiconductor, cadmium sulfide has gained wide recognition because of its outstanding optical-electronic properties [1][2][3][4][5][6][7] and polymorphic structural transformations [8][9][10][11][12][13][14][15][16]. It has a direct band gap of 2.4 eV that lends itself to many applications in light detectors, forming quantum dots, and passivating the surfaces of other materials [1].…”

Section: Introductionmentioning

confidence: 99%

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High-Pressure Phase Transitions and Thermodynamic Behaviors of Cadmium Sulfide

Tan

2011

Acta Phys. Pol. A

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The pressure-induced phase transitions of cadmium sulfide semiconductor in both zinc-blende and wurtzite structures are investigated by ab initio plane-wave pseudopotential density functional theory with the local density approximation. On the basis of the fourth-order Birch-Murnaghan equation of state, the phase transition pressures Pt are determined by the enthalpy criterion. It is found that the phase transitions occur at pressure of 2.57 GPa (zinc blende-rocksalt structure) and 2.60 GPa (wurtzite-rocksalt structure), respectively. The equilibrium structural parameters, elastic constants, and phase transition pressures are calculated and compared with the experimental data available and other theoretical results. According to linear-response approach, the thermodynamic properties such as the free energy, enthalpy, entropy, and heat capacity are also obtained successfully from the phonon density of state.PACS: 71.15.Mb, 65.40.−b IntroductionAs a group IIB-VIA semiconductor, cadmium sulfide has gained wide recognition because of its outstanding optical-electronic properties [1][2][3][4][5][6][7] and polymorphic structural transformations [8][9][10][11][12][13][14][15][16]. It has a direct band gap of 2.4 eV that lends itself to many applications in light detectors, forming quantum dots, and passivating the surfaces of other materials [1]. Owing to the thermal stability and the colour in yellow, it can form pigments in colors ranging from deep red to yellow with the addition of CdTe et al. [2]. At ambient conditions, CdS exists as hexagonal greenockite (wurtzite structure (WZ)) or cubic hawleyite (zincblende structure (ZB)). In this paper, we investigate the structures of WZ with space group P 63mc ZB with space group F -43m and rocksalt structure (RS) with space group F m-3m.The electronic properties of CdS have been of considerable investigation by both theories [3,4,7] and experiments [5,6]. Zakharov et al.[3] calculated quasiparticle band structures of CdS using the GW approximation for self-energy operator and obtained satisfactory agreement in comparison with experiments. Using the first-principles orthogonalized linear-combination-of--atomic orbitals method, Xu and Ching [4] calculated the energy gap of 2.02 eV, which is in reasonable agreement with experimental values of 2.4 eV [5] and 2.58 eV [6]. Wei et al. studied the structure stability and carrier localization of CdS in both ZB-and WZ-structures by band--structure calculations [7]. They found that the band gap and the valence-band maximum of WZ-CdS are larger

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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High-Pressure Phase Transitions and Thermodynamic Behaviors of Cadmium Sulfide

Tan

2011

Acta Phys. Pol. A

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“…While the value of Ut(PT)-UiP T ) itself is not 8 known, it can be calculated from known quantities. By equating the chemical potentials in equation 1, it is possible to obtain the expression (6) where P B is the bulk phase transition pressure of 3.0 GPa. As the changes in U with pressure can be calculated by integrating the pressure volume curves for each phase, equation 5 can now be rewritten as…”

Section: (5)mentioning

confidence: 99%

Se Exafs Study of the Elevated Wurtzite to Rock Salt Structural Phase Transition in Cdse Nanocrystals

Tolbert

Alivisatos

1994

Nanophase Materials

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“…Deep levels in CdS have been previously studied using a number of characterization techniques including DLTS [1][2][3], thermally stimulated current (TSC) [4], photoconductivity [5][6][7], photoluminescence [1,8] and PICTS [9,10]. Energy levels in the range 0.033-1.3 eV have been reported.…”

Section: Introductionmentioning

confidence: 99%