| Citation: |
A Shankar, D P Rai, Sandeep, R K Thapa. Structural, electronic, magnetic and optical properties of neodymium chalcogenides using LSDA+U method[J]. Journal of Semiconductors, 2012, 33(8): 082001. doi: 10.1088/1674-4926/33/8/082001
A Shankar, D P Rai, Sandeep, R K Thapa. Structural, electronic, magnetic and optical properties of neodymium chalcogenides using LSDA+U method[J]. J. Semicond., 2012, 33(8): 082001. doi: 10.1088/1674-4926/33/8/082001.
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Structural, electronic, magnetic and optical properties of neodymium chalcogenides using LSDA+U method
doi: 10.1088/1674-4926/33/8/082001
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Abstract
We have studied the electronic, magnetic and optical properties of neodymium chalcogenides by performing LSDA+U and full potential linearized augmented plane wave (FP-LAPW) method. The electronic structure calculation shows that the electronic states in Nd-chalcogenides were mainly contributed by Nd-4f electrons near Fermi energy and 3p, 4p and 5p state electrons of X (S, Se and Te), respectively. We have also studied the absorption of light via the imaginary parts of the dielectric function of Nd-chalcogenides.-
Keywords:
- DFT,
- DOS,
- magnetic moment,
- U
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References
[1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] -
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