Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications

Article

关键词: HIGH-PRESSURE PHASE;    AB-INITIO;    TEMPERATURE-DEPENDENCE;    CRYSTAL-STRUCTURE;    SOLAR-CELLS;    BAND-GAP;    1ST-PRINCIPLES;    STABILITY;    STATE;    EQUATION;   

DOI  :  10.1103/PhysRevB.86.121204

来源: SCIE

【 摘 要 】

We present state-of-the-art first-principles calculations of the electronic and optical properties of silicon allotropes with interesting characteristics for applications in thin-film solar cells. These new phases consist of distorted sp(3) silicon networks and have a lower formation energy than other experimentally produced silicon phases. Some of these structures turned out to have quasidirect and dipole-allowed band gaps in the range 0.8-1.5 eV, and to display absorption coefficients comparable with those of chalcopyrites used in thin-film record solar cells.

【 授权许可】

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