TY  - JOUR
AU  - Lalić, Milan V.
AU  - Popović, Zoran S.
AU  - Vukajlović, Filip R.
PY  - 1998
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2132
AB  - In this paper we suggest a new scheme for obtaining electronic contribution to the electric field gradient (EFG) at the nucleus. The EFG for ali HCP metals from Be to Cd is obtained from band structure calculations using the recently developed scheme of full-potential (FP) linear-muffin-tin-orbital (LMTO) formalism in the atomic-sphere approximation (ASA). This method is computationally very effective. A comparison with the theoretically most accurate full-potential linear augmented plane wave calculations and experimental values shows very good agreement. According to the investigations presented in this paper. FP-LMTO-ASA method is probably the best choice presently for the calculation of the EFG in more complicated compounds. (C) 1998 Elsevier Science B.V. All rights reserved.
T2  - Physica B: Condensed Matter
T1  - Full-potential linear-muffin-tin orbital atomic-sphere approximation calculations of the electric field gradient in HCP metals
VL  - 245
IS  - 4
SP  - 376
EP  - 382
DO  - 10.1016/S0921-4526(97)00880-6
ER  - 

@article{
author = "Lalić, Milan V. and Popović, Zoran S. and Vukajlović, Filip R.",
year = "1998",
abstract = "In this paper we suggest a new scheme for obtaining electronic contribution to the electric field gradient (EFG) at the nucleus. The EFG for ali HCP metals from Be to Cd is obtained from band structure calculations using the recently developed scheme of full-potential (FP) linear-muffin-tin-orbital (LMTO) formalism in the atomic-sphere approximation (ASA). This method is computationally very effective. A comparison with the theoretically most accurate full-potential linear augmented plane wave calculations and experimental values shows very good agreement. According to the investigations presented in this paper. FP-LMTO-ASA method is probably the best choice presently for the calculation of the EFG in more complicated compounds. (C) 1998 Elsevier Science B.V. All rights reserved.",
journal = "Physica B: Condensed Matter",
title = "Full-potential linear-muffin-tin orbital atomic-sphere approximation calculations of the electric field gradient in HCP metals",
volume = "245",
number = "4",
pages = "376-382",
doi = "10.1016/S0921-4526(97)00880-6"
}

Lalić, M. V., Popović, Z. S.,& Vukajlović, F. R.. (1998). Full-potential linear-muffin-tin orbital atomic-sphere approximation calculations of the electric field gradient in HCP metals. in Physica B: Condensed Matter, 245(4), 376-382.
https://doi.org/10.1016/S0921-4526(97)00880-6

Lalić MV, Popović ZS, Vukajlović FR. Full-potential linear-muffin-tin orbital atomic-sphere approximation calculations of the electric field gradient in HCP metals. in Physica B: Condensed Matter. 1998;245(4):376-382.
doi:10.1016/S0921-4526(97)00880-6 .

Lalić, Milan V., Popović, Zoran S., Vukajlović, Filip R., "Full-potential linear-muffin-tin orbital atomic-sphere approximation calculations of the electric field gradient in HCP metals" in Physica B: Condensed Matter, 245, no. 4 (1998):376-382,
https://doi.org/10.1016/S0921-4526(97)00880-6 . .