Effect of Pressure on Cesium lodide Band Gap

CEDILLO Andrés; CORTONA Pietro

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Effect of Pressure on Cesium lodide Band Gap

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The evolution of cesium iodide band gap as a function of pressure is studied in the range from 0 to 60 GPa. Within this range, two structural phase transitions occurred, and the band gap was affected by the compression pressure and structural rearrangement. The band gap estimation under pressure, as obtained by the density functional theory methods, successfully reproduced the experimental trend of the optical gap and electrical resistivity, namely, a general decreasing tendency, an early maximum, and a discontinuous peak around 40 GPa.

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《物理化学学报》 |2018年第2期|208-212|共5页
作者
CEDILLO Andrés; CORTONA Pietro;
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Departamento de Química,Universidad Autónoma Metropolitana-Iztapalapa,San Rafael Atlixco 186,09340 México,DF,México;

Laboratoire Structures,Propriétés et Modélisation des Solides,CNRS UMR 8580,Université Paris-Saclay,Centrale Supélec,Grande Voie des Vignes,F-92295 Chatenay-Malabry,France;

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Effect of Pressure on Cesium lodide Band Gap

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