J. Semicond. > Volume 36 > Issue 2 > Article Number: 022002

Calculations of DOS and electronic structure in Bi2S3 and Bi2Se3 by using FP-LAPW method

Dandeswar Deka 1, , A. Rahman 1, and R. K. Thap 2,

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Abstract: The electronic structures for Bi2S3 and Bi2Se3 have been investigated by the first principles full potential-linearized augmented plane wave (FP-LAPW) method with generalized gradient approximation. The calculated density of states and band structures show the semiconducting behavior of Bi2S3 and Bi2Se3 with a narrow indirect energy band gap of 1.4 eV in Bi2S3 and 0.8 eV in Bi2Se3.

Key words: DFTFP-LAPWDOSenergy band structureenergy band gap

Abstract: The electronic structures for Bi2S3 and Bi2Se3 have been investigated by the first principles full potential-linearized augmented plane wave (FP-LAPW) method with generalized gradient approximation. The calculated density of states and band structures show the semiconducting behavior of Bi2S3 and Bi2Se3 with a narrow indirect energy band gap of 1.4 eV in Bi2S3 and 0.8 eV in Bi2Se3.

Key words: DFTFP-LAPWDOSenergy band structureenergy band gap



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Dandeswar Deka and E Deka, A. Rahman, R. K. Thap. Calculations of DOS and electronic structure in Bi2S3 and Bi2Se3 by using FP-LAPW method[J]. J. Semicond., 2015, 36(2): 022002. doi: 10.1088/1674-4926/36/2/022002.

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Manuscript received: 02 April 2014 Manuscript revised: Online: Published: 01 February 2015

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