Pregled bibliografske jedinice broj: 587508
Thermodynamical and Phonon Properties of Rare-Earth REBi (RE=Ce and La) Bismuthidies
Thermodynamical and Phonon Properties of Rare-Earth REBi (RE=Ce and La) Bismuthidies // Computational materials science, 65 (2012), 536-541 doi:10.1016/j.commatsci.2012.07.010 (međunarodna recenzija, članak, znanstveni)
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Naslov
Thermodynamical and Phonon Properties of Rare-Earth REBi (RE=Ce and La) Bismuthidies
Autori
Mankad, Venu ; Gupta, Sanjeev K. ; Lukačević, Igor ; Jha, Prafulla K.
Izvornik
Computational materials science (0927-0256) 65
(2012);
536-541
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
first principles; thermodynamics; phonons; Debye temperature
Sažetak
The structural, elastic, vibrational and thermodynamical properties of rare earth XBi (X=Ce and La) bismuthides in the rocksalt and CsCl structure are studied by means of a first-principles plane-wave method within the generalized gradient approximation (GGA). The results are given for lattice constant, bulk modulus, phonon and its allied and thermal properties. The calculated structural and thermodynamical properties are in excellent agreement with experimentally determined values. Moreover, sound velocities and Debye temperature are also obtained successfully. The variation of lattice-specific heat with temperature obeys the classical Dulong-Petit's law at high temperature, while at low temperature it obeys the Debye's T^3 law.
Izvorni jezik
Engleski
Znanstvena područja
Fizika
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
