Electronic structure of PrBa[sub 2]Cu[sub 3]O[sub 7]

Journal Article · Mon Aug 01 04:00:00 EDT 1994 · Physical Review, B: Condensed Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.50.4106· OSTI ID:6735652

Singh, D J ^[1]

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1. Complex Systems Theory Branch, Naval Research Laboratory, Washington, D.C. 20375-5345 (United States)

Electronic-structure calculations, within the local spin density approximation (LSDA), are reported for PrBa[sub 2]Cu[sub 3]O[sub 7]. Significant charge transfer from the Pr ions to both the CuO[sub 2] planes and the chains is found relative to YBa[sub 2]Cu[sub 3]O[sub 7]. This supports hole depletion explanations for the insulating character of PrBa[sub 2]Cu[sub 3]O[sub 7]. The LSDA electronic structure shows a prominent ridge'' Fermi surface analogous to that in YBa[sub 2]Cu[sub 3]O[sub 7], but broader. It is proposed that high-resolution positron measurements of this width may provide a useful test of hole depletion models.

• OSTI ID: 6735652
• Journal Information: Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 50:6; ISSN PRBMDO; ISSN 0163-1829
• Country of Publication: United States
• Language: English

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