First-principles computation of the electronic structure and optical properties of Tl3PbBr5 and TlPb2Br5: Application of the TB-mBJ+U+SOC technique
暂无分享,去创建一个
L. N. Ananchenko | B. V. Gabrelian | M. Piasecki | O. Khyzhun | P. Bragiel | A. Lavrentyev | N. Denysyuk | T. Vu | K. Kalmykova
[1] G. Myronchuk,et al. Impact of structure complexity on optoelectronic and non-linear optical properties in quaternary Ag(Pb)–Ga(In)–Si(Ge)–S(Se) systems , 2022, Journal of Alloys and Compounds.
[2] B. V. Gabrelian,et al. Electronic structure and optical constants of CsPbCl3: The effect of approaches within ab initio calculations in relation to X-ray spectroscopy experiments , 2021 .
[3] B. V. Gabrelian,et al. DFT study and XPS measurements elucidating the electronic and optical properties of KPb2Cl5 , 2020 .
[4] I. Kityk,et al. PbGa2GeS6 crystal as a novel nonlinear optical material: Band structure aspects , 2018 .
[5] S. Trivedi,et al. Crystal growth and characterization of undoped and Dy-doped TlPb 2 Br 5 for infrared lasers and nuclear radiation detection , 2017 .
[6] V. T. Vu,et al. Electronic structure and optical properties of RbPb2Br5 , 2016 .
[7] V. T. Vu,et al. Specific features of the electronic structure and optical properties of KPb2Br5: DFT calculations and X-ray spectroscopy measurements , 2016 .
[8] I. Kityk,et al. Specific features of the electronic structure of a novel ternary Tl3PbI5 optoelectronic material. , 2014, Physical chemistry chemical physics : PCCP.
[9] A. Fedorchuk,et al. First-principles band-structure calculations and X-ray photoelectron spectroscopy studies of the electronic structure of TlPb2Cl5 , 2014 .
[10] I. Kityk,et al. Single crystal growth and the electronic structure of TlPb2Br5 , 2013 .
[11] O. Parasyuk,et al. Electronic structure of the high-temperature tetragonal Tl3PbBr5 phase , 2013 .
[12] V. Atuchin,et al. Electronic properties of ZnWO4 based on ab initio FP-LAPW band-structure calculations and X-ray spectroscopy data , 2013 .
[13] I. Kityk,et al. Single crystal growth and the electronic structure of orthorhombic Tl3PbBr5: A novel material for non-linear optics , 2013 .
[14] A. K. Sinelnichenko,et al. Crystal growth and the electronic structure of Tl3PbCl5 , 2011 .
[15] Jean-Louis Doualan,et al. Spectroscopic investigation and mid-infrared luminescence properties of the Pr3+-doped low phonon single crystals CsCdBr3, KpB2Cl5 and Tl3PbBr5 , 2009 .
[16] R. Moncorgé,et al. Pr3+-doped Tl3PbBr5: a non-hygroscopic, non-linear and low-energy phonon single crystal for the mid-infrared laser application , 2009 .
[17] X. Portier,et al. Crystal growth and characterization of the non-centrosymmetric compound Tl3PbCl5 , 2006 .
[18] X. Portier,et al. Tl3PbBr5: A possible crystal candidate for middle infrared nonlinear optics , 2006 .
[19] Jorge O. Sofo,et al. Linear optical properties of solids within the full-potential linearized augmented planewave method , 2004, Comput. Phys. Commun..
[20] H. Keller. Das System TlClPbCl2 , 1983 .
[21] H. Keller. Tief‐Tl3PbBr5, Darstellung und Kristallstruktur , 1981 .
[22] H. Keller. Darstellung und kristallstruktur von hoch-Tl3PbBr5 , 1981 .
[23] C. Hubbard,et al. The crystal structure of the cation-disordered phase (Tl0.75Pb0.25)4Cl5 , 1979 .
[24] J. Kohanoff,et al. Density functional theory: basics, new trends and applications , 2003 .