Lattice dynamics of Ru 2 FeX (X = Si, Ge) Full Heusler alloys

作者: M. Rizwan , A. Afaq , A. Aneeza

DOI: 10.1016/J.PHYSB.2018.01.010

关键词: Density of statesDispersion (optics)Brillouin zoneDensity functional theoryPerturbation theoryCondensed matter physicsMaterials scienceDispersion relationQuantum ESPRESSOPhonon

摘要: … Phonon dispersion curves and phonon density of states are obtained using first-principles … From Table 1; value of reststrahlen band for Ru 2 FeSi is smaller than value of reststrahlen …

参考文章(22)
Stefano Baroni, Stefano de Gironcoli, Andrea Dal Corso, Paolo Giannozzi, Phonons and related crystal properties from density-functional perturbation theory Reviews of Modern Physics. ,vol. 73, pp. 515- 562 ,(2001) , 10.1103/REVMODPHYS.73.515
K. Parlinski, Z. Q. Li, Y. Kawazoe, First-Principles Determination of the Soft Mode in Cubic ZrO 2 Physical Review Letters. ,vol. 78, pp. 4063- 4066 ,(1997) , 10.1103/PHYSREVLETT.78.4063
Hendrik J. Monkhorst, James D. Pack, Special points for Brillouin-zone integrations Physical Review B. ,vol. 13, pp. 5188- 5192 ,(1976) , 10.1103/PHYSREVB.13.5188
Norman Troullier, José Luís Martins, Efficient pseudopotentials for plane-wave calculations Physical Review B. ,vol. 43, pp. 1993- 2006 ,(1991) , 10.1103/PHYSREVB.43.1993
Mark Fox, George F. Bertsch, Optical Properties of Solids American Journal of Physics. ,vol. 70, pp. 1269- 1270 ,(2002) , 10.1119/1.1691372
Bhargab Deka, Rahul Das, A. Srinivasan, Magnetic properties of Ge substituted Ru2FeSi alloys Journal of Magnetism and Magnetic Materials. ,vol. 347, pp. 101- 104 ,(2013) , 10.1016/J.JMMM.2013.07.058
Sandro Scandolo, Sandro Scandolo, Guido L Chiarotti, Stefano de Gironcoli, Stefano de Gironcoli, Ismaila Dabo, Carlo Cavazzoni, Lorenzo Paulatto, Lorenzo Paulatto, Riccardo Mazzarello, Paolo Giannozzi, Davide Ceresoli, Nicola Marzari, Anton Kokalj, Alfredo Pasquarello, Alexander Smogunov, Carlo Sbraccia, Gabriele Sclauzero, Gabriele Sclauzero, Matteo Cococcioni, Stefano Baroni, Stefano Baroni, Paolo Umari, Matteo Calandra, Ari P Seitsonen, Stefano Fabris, Stefano Fabris, Guido Fratesi, Michele Lazzeri, Francesco Mauri, Renata M Wentzcovitch, Nicola Bonini, Ralph Gebauer, Ralph Gebauer, Uwe Gerstmann, Christos Gougoussis, Roberto Car, Layla Martin-Samos, Andrea Dal Corso, Andrea Dal Corso, Stefano Paolini, QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Journal of Physics: Condensed Matter. ,vol. 21, pp. 395502- ,(2009) , 10.1088/0953-8984/21/39/395502
Ig. Tamm, �ber die Quantentheorie der molekularen Lichtzerstreuung in festen K�rpern Zeitschrift f�r Physik. ,vol. 60, pp. 345- 363 ,(1930) , 10.1007/BF01339935