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Xiao J, Wen B, Melnik R, et al. Phase transformation of cadmium sulfide under high temperature and high pressure conditions. Phys Chem Chem Phys. 2014;16(28):14899-904doi: 10.1039/c4cp01003e.
Xiao, J., Wen, B., Melnik, R., Kawazoe, Y., & Zhang, X. (2014). Phase transformation of cadmium sulfide under high temperature and high pressure conditions. Physical chemistry chemical physics : PCCP, 16(28), 14899-904. https://doi.org/10.1039/c4cp01003e
Xiao, Jianwei, et al. "Phase transformation of cadmium sulfide under high temperature and high pressure conditions." Physical chemistry chemical physics : PCCP vol. 16,28 (2014): 14899-904. doi: https://doi.org/10.1039/c4cp01003e
Xiao J, Wen B, Melnik R, Kawazoe Y, Zhang X. Phase transformation of cadmium sulfide under high temperature and high pressure conditions. Phys Chem Chem Phys. 2014 Jul 28;16(28):14899-904. doi: 10.1039/c4cp01003e. PMID: 24930763.
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Phys Chem Chem Phys. 2014 Jul 28;16(28):14899-904. doi: 10.1039/c4cp01003e.

Phase transformation of cadmium sulfide under high temperature and high pressure conditions.

Physical chemistry chemical physics : PCCP

Jianwei Xiao, Bin Wen, Roderick Melnik, Yoshiyuki Kawazoe, Xiangyi Zhang

Affiliations

  1. State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China. [email protected].

PMID: 24930763 DOI: 10.1039/c4cp01003e

Abstract

Cadmium sulfide (CdS) is one of the most significant wide band gap semiconductors, and knowledge of the phase transformation of CdS under high temperature and pressure is especially important for its applications. The pressure-temperature phase diagram and the phase transformation pathways of CdS have been investigated by using density functional theory combined with quasiharmonic approximation. Our results indicated that under ambient conditions, wz-CdS is a stable phase, while under high temperature and pressure, rs-CdS becomes the stable phase. It is also found that zb-CdS is an intermediate phase in transforming from rs-CdS to wz-CdS. Therefore, although there are no zb-CdS phase regions in the CdS pressure-temperature phase diagram, zb-CdS can be found in some prepared experiments.

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