Electronic structure and phase-stability studies on superconducting YNi{sub 2}B{sub 2}C, YRh{sub 3}B, and nonsuperconducting YNi{sub 4}B

Journal Article · Wed Nov 01 04:00:00 EST 1995 · Physical Review, B: Condensed Matter

DOI:https://doi.org/10.1103/PhysRevB.52.12921· OSTI ID:165773

Ravindran, P ^[1]; Sankaralingam, S ^[2]; Asokamani, R ^[1]

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1. Department of Physics, Anna University, Madras 600 025 (India)
2. Department of Physics, AGGAC, Tindivanam 604 002 (India)

The band structure and the density of states (DOS) of YNi{sub 2}B{sub 2}C, YRh{sub 3}B, and YNi{sub 4}B are obtained using the tight-binding linear muffin-tin orbital method. From our studies, we have found that the Fermi level falls on one of the peaks in the DOS curves of both YNi{sub 2}B{sub 2}C and YRh{sub 3}B and this is responsible for superconductivity in these compounds. In order to comprehend the phase stability of these superconducting materials, the total-energy curves are drawn. The angular momentum and site decomposed DOS studies on paramagnetic YNi{sub 4}B clearly show that the nickel {ital d} states are partially filled. The equilibrium lattice constants, cohesive energy, heat of formation, density of states at the Fermi level, Pauli paramagnetic susceptibility, electronic specific-heat coefficient, the electron-phonon coupling constant, and the bulk modulus and its pressure derivative are tabulated and compared with the available experimental values.

• OSTI ID: 165773
• Journal Information: Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 17 Vol. 52; ISSN 0163-1829; ISSN PRBMDO
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
66 PHYSICS
D STATES
ELECTRONIC STRUCTURE
ENERGY-LEVEL DENSITY
FERMI LEVEL
MAGNETIC SUSCEPTIBILITY
NICKEL BORIDES
PHASE STABILITY
RHODIUM BORIDES
SPECIFIC HEAT
SUPERCONDUCTIVITY
YTTRIUM BORIDES