Unraveling the origins of conduction band valley degeneracies in Mg2Si1−xSnx thermoelectrics
2016 ◽
Vol 18
(2)
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pp. 939-946
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Keyword(s):
The origin of the enhanced band valley degeneracy for Mg2Si1−xSnx (MSS) are examined using a temperature-broadened, orbital-projected band structure as calculated by hybrid density-functional theory (DFTHSE06). For MSS alloys, varying xSn modulates the orbital nature of the conduction bands, and couples with the sublattice strain which directly manipulates the degree of the effective degeneracy.
2011 ◽
Vol 134
(22)
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pp. 224706
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2021 ◽
Vol 125
(38)
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pp. 8514-8518
2021 ◽
pp. 114872
2002 ◽
Vol 124
(37)
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pp. 11122-11130
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2019 ◽
Vol 21
(34)
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pp. 18612-18621
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2019 ◽
Vol 15
(11)
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pp. 6294-6312
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