First principle investigations on structural, mechanical, spin polarized electronic and magnetic properties of TmZn and TmCd
محل انتشار: فصلنامه فیزیک تئوری و کاربردی، دوره: 9، شماره: 4
سال انتشار: 1394
نوع سند: مقاله ژورنالی
زبان: انگلیسی
مشاهده: 262
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شناسه ملی سند علمی:
JR_JTAP-9-4_001
تاریخ نمایه سازی: 27 مرداد 1397
چکیده مقاله:
Structural, mechanical, spin polarized electronicand magnetic properties of TmZn and TmCd intermetalliccompounds have been studied using the full-potential linearizeaugmented plane-wave plus local orbital method. The structuraland mechanical properties have been studied in terms oflattice parameter (a(0)), bulk modulus (B(0)) and its first-orderpressure derivative (B( 0)), elastic constants (C(ij)), Young’smodulus (Y), shear modulus (G) and Poisson’s ratio (t) inequilibrium state which are found to be consistent with availableexperimental/theoretical values. Spin polarized electronicproperties have been investigated in terms of band structure anddensity of state histograms for spin up and spin down channel.Electronic behavior of TmZn and TmCd shows that studiedmaterials are metallic ferromagnets with high spin polarizationin which Tm-f state electrons have dominant character.
کلیدواژه ها:
Binary intermetallics Mechanical properties Electronic structure Magnetic properties
نویسندگان
Satish Chand
Department of Physics, Mewar University, Chittorgarh, Rajasthan, India
R.P Singh
Department of Physics, S. S. V. Degree College (Affiliated to C. C. S. University, Meerut U. P.), Hapur, India
A Govindan
Department of Physics, M. M. H. College (C. C. S. University-Meerut), Ghaziabad, India