Antiferromagnetism in 4 d transition metals

Journal Article · Sat Dec 01 04:00:00 EST 1990 · Physical Review, B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.42.10322· OSTI ID:5944104

Moruzzi, V L; Marcus, P M ^[1]

---

1. IBM Research Division, Thomas J. Watson Research Center, Yorktown Heights, NY (USA)

Total-energy band calculations employing a fixed-spin-moment procedure and the augmented-spherical-wave method are used to study the volume dependences and existence ranges of antiferromagnetic behavior in the 4{ital d} transition metals constrained to cubic lattices. At expanded volumes we find stable antiferromagnetic solutions of the Kohn-Sham equations for bcc niobium, molybdenum, and technetium, and for fcc technetium, and metastable antiferromagnetic solutions for fcc ruthenium. We find no stable antiferromagnetic solutions for fcc rhodium or palladium. Comparisons are made with the occurrence of antiferromagnetism in the 3{ital d} transition metals.

• OSTI ID: 5944104
• Journal Information: Physical Review, B: Condensed Matter; (USA), Journal Name: Physical Review, B: Condensed Matter; (USA) Vol. 42:16; ISSN PRBMD; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ANTIFERROMAGNETISM
BAND THEORY
BCC LATTICES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
D STATES
ELEMENTS
ENERGY LEVELS
FCC LATTICES
MAGNETISM
METALS
MOLYBDENUM
NIOBIUM
PALLADIUM
PLATINUM METALS
RHODIUM
RUTHENIUM
TECHNETIUM
TRANSITION ELEMENTS