Electronic Band Structure and Madelung Potential Study of the Nickelates La2NiO4, La3Ni2O7, and La4Ni3O10

D. K. Seo; W. Liang; M. H. Whangbo; Z. Zhang; M. Greenblatt

doi:10.1021/ic960379j

Electronic Band Structure and Madelung Potential Study of the Nickelates La₂NiO₄, La₃Ni₂O₇, and La₄Ni₃O₁₀

D. K. Seo, W. Liang, M. H. Whangbo, Z. Zhang, M. Greenblatt

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24 Scopus citations

Abstract

Tight-binding electronic band structures and Madelung potentials were calculated for La₂NiO₄, La₃Ni₂O₇, and La₄Ni₃O₁₀ to examine why a metal-to-metal transition occurs in the nickelate Ln₄Ni₃O₁₀ (Ln = La, Nd, Pr). La₄Ni₃O₁₀ and La₃Ni₂O₇ are each found to have two hidden one-dimensional (1D) Fermi surfaces, which suggests that both compounds should possess a charge density wave instability. Factors leading to hidden 1D Fermi surfaces in the e_g block bands of the nickelates were discussed.

Original language	English (US)
Pages (from-to)	6396-6400
Number of pages	5
Journal	Inorganic chemistry
Volume	35
Issue number	22
DOIs	https://doi.org/10.1021/ic960379j
State	Published - 1996
Externally published	Yes

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Physical and Theoretical Chemistry
Inorganic Chemistry

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title = "Electronic Band Structure and Madelung Potential Study of the Nickelates La2NiO4, La3Ni2O7, and La4Ni3O10",

abstract = "Tight-binding electronic band structures and Madelung potentials were calculated for La2NiO4, La3Ni2O7, and La4Ni3O10 to examine why a metal-to-metal transition occurs in the nickelate Ln4Ni3O10 (Ln = La, Nd, Pr). La4Ni3O10 and La3Ni2O7 are each found to have two hidden one-dimensional (1D) Fermi surfaces, which suggests that both compounds should possess a charge density wave instability. Factors leading to hidden 1D Fermi surfaces in the eg block bands of the nickelates were discussed.",

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year = "1996",

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T1 - Electronic Band Structure and Madelung Potential Study of the Nickelates La2NiO4, La3Ni2O7, and La4Ni3O10

AU - Seo, D. K.

AU - Liang, W.

AU - Whangbo, M. H.

AU - Zhang, Z.

AU - Greenblatt, M.

PY - 1996

Y1 - 1996

N2 - Tight-binding electronic band structures and Madelung potentials were calculated for La2NiO4, La3Ni2O7, and La4Ni3O10 to examine why a metal-to-metal transition occurs in the nickelate Ln4Ni3O10 (Ln = La, Nd, Pr). La4Ni3O10 and La3Ni2O7 are each found to have two hidden one-dimensional (1D) Fermi surfaces, which suggests that both compounds should possess a charge density wave instability. Factors leading to hidden 1D Fermi surfaces in the eg block bands of the nickelates were discussed.

AB - Tight-binding electronic band structures and Madelung potentials were calculated for La2NiO4, La3Ni2O7, and La4Ni3O10 to examine why a metal-to-metal transition occurs in the nickelate Ln4Ni3O10 (Ln = La, Nd, Pr). La4Ni3O10 and La3Ni2O7 are each found to have two hidden one-dimensional (1D) Fermi surfaces, which suggests that both compounds should possess a charge density wave instability. Factors leading to hidden 1D Fermi surfaces in the eg block bands of the nickelates were discussed.

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JO - Inorganic chemistry

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ER -

Electronic Band Structure and Madelung Potential Study of the Nickelates La₂NiO₄, La₃Ni₂O₇, and La₄Ni₃O₁₀

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