Why does silicon have an indirect band gap?

Oliphant, Emily [Department of Materials Science, University of Michigan, Ann Arbor, Michigan 48109, USA] (ORCID:0009000513748100); Mantena, Veda [Department of Materials Science, University of Michigan, Ann Arbor, Michigan 48109, USA] (ORCID:0009000236574914); Brod, Madison [Northwestern University, Materials Science and Engineering, Evanston, IL 60208, USA] (ORCID:0000000327174361); Snyder, G. Jeffrey [Northwestern University, Materials Science and Engineering, Evanston, IL 60208, USA] (ORCID:0000000314148682); Sun, Wenhao [Department of Materials Science, University of Michigan, Ann Arbor, Michigan 48109, USA] (ORCID:000000028416455X)

doi:10.1039/d4mh01038h

DOE OSTI · 2507373

Why does silicon have an indirect band gap?

Oliphant, Emily [Department of Materials Science, University of Michigan, Ann Arbor, Michigan 48109, USA] (ORCID:0009000513748100)·Mantena, Veda [Department of Materials Science, University of Michigan, Ann Arbor, Michigan 48109, USA] (ORCID:0009000236574914)·Brod, Madison [Northwestern University, Materials Science and Engineering, Evanston, IL 60208, USA] (ORCID:0000000327174361)·Snyder, G. Jeffrey [Northwestern University, Materials Science and Engineering, Evanston, IL 60208, USA] (ORCID:0000000314148682)·Sun, Wenhao [Department of Materials Science, University of Michigan, Ann Arbor, Michigan 48109, USA] (ORCID:000000028416455X)

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Abstract

A new strategy to trace the chemical bonding origins of band structure explains silicon's unusual low-symmetry conduction band minimum.

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Oliphant, Emily [Department of Materials Science, University of Michigan, Ann Arbor, Michigan 48109, USA] (ORCID:0009000513748100), Mantena, Veda [Department of Materials Science, University of Michigan, Ann Arbor, Michigan 48109, USA] (ORCID:0009000236574914), Brod, Madison [Northwestern University, Materials Science and Engineering, Evanston, IL 60208, USA] (ORCID:0000000327174361), Snyder, G. Jeffrey [Northwestern University, Materials Science and Engineering, Evanston, IL 60208, USA] (ORCID:0000000314148682), Sun, Wenhao [Department of Materials Science, University of Michigan, Ann Arbor, Michigan 48109, USA] (ORCID:000000028416455X). 2025-05-06. Why does silicon have an indirect band gap?. https://doi.org/10.1039/d4mh01038h

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