2000 character limit reached
Untangling the valley structure of states for intravalley exchange anisotropy in lead chalcogenides quantum dots
Published 22 Dec 2023 in cond-mat.mes-hall | (2312.14918v2)
Abstract: We put forward a generalized procedure which allows to restore the bulk-like electron and hole wave functions localized in certain valleys from the wave functions of quantum confined electron/hole states obtained in atomistic calculations of nanostructures. As a demonstration, the procedure is applied to the lead chalcogenide quantum dots to extract the effective intravalley Hamiltonian of the exchange interaction for the ground exciton state PbS and PbSe quantum dots. Renormalization of the anisotropic intravalley matrix elemets of velocity is also calculated. The results demonstrate that the matrix elements of intravalley exchange in PbS quantum dots are much more anisotropic than ones in PbSe.
- A. L. Efros and L. E. Brus, Nanocrystal quantum dots: From discovery to modern development, ACS Nano 15, 6192 (2021).
- I. D. Avdeev, S. V. Goupalov, and M. O. Nestoklon, Effective landé factors of electrons and holes in lead chalcogenide nanocrystals, Phys. Rev. B 107, 035414 (2023).
- J. M. Luttinger and W. Kohn, Motion of electrons and holes in perturbed periodic fields, Phys. Rev. 97, 869 (1955).
- P. C. Sercel and K. J. Vahala, Analytical formalism for determining quantum-wire and quantum-dot band structure in the multiband envelope-function approximation, Phys. Rev. B 42, 3690 (1990).
- P. Hohenberg and W. Kohn, Inhomogeneous electron gas, Phys. Rev. 136, B864 (1964).
- W. Kohn and L. J. Sham, Self-consistent equations including exchange and correlation effects, Phys. Rev. 140, A1133 (1965).
- A. N. Poddubny, M. O. Nestoklon, and S. V. Goupalov, Anomalous suppression of valley splittings in lead salt nanocrystals without inversion center, Phys. Rev. B 86, 035324 (2012).
- I. D. Avdeev, M. O. Nestoklon, and S. V. Goupalov, Exciton fine structure in lead chalcogenide quantum dots: Valley mixing and crucial role of intervalley electron–hole exchange, Nano Lett. 20, 8897 (2020).
- I. Kang and F. W. Wise, Electronic structure and optical properties of PbS and PbSe quantum dots, J. Opt. Soc. Am. B 14, 1632 (1997).
- S. V. Goupalov, Comment on “electronic structure and optical properties of quantum-confined lead salt nanowires”, Phys. Rev. B 84, 037303 (2011).
- M. O. Nestoklon, L. E. Golub, and E. L. Ivchenko, Spin and valley-orbit splittings in SiGe/Si heterostructures, Phys. Rev. B 73, 235334 (2006).
- A. Paul and G. Klimeck, Atomistic study of electronic structure of PbSe nanowires, Applied Physics Letters 98, 212105 (2011).
- I. D. Avdeev, Shape effect on the valley splitting in lead selenide nanowires, Phys. Rev. B 99, 195303 (2019).
- P.-O. Löwdin, On the non-orthogonality problem connected with the use of atomic wave functions in the theory of molecules and crystals, J. Chem. Phys. 18, 365 (1950).
- M. O. Nestoklon, R. Benchamekh, and P. Voisin, Virtual crystal description of III–v semiconductor alloys in the tight binding approach, J. Phys.: Condens. Matter 28, 305801 (2016).
- E. L. Ivchenko and M. O. Nestoklon, Optical transitions on a type ii semiconductor interface in the empirical tight-binding theory, Journal of Experimental and Theoretical Physics 94, 644 (2002).
- I. D. Avdeev, M. O. Nestoklon, and S. V. Goupalov, Correction to “exciton fine structure in lead chalcogenide quantum dots: Valley mixing and crucial role of intervalley electron–hole exchange”, Nano Letters 22, 7751 (2022).
- S. V. Gupalov, E. L. Ivchenko, and A. V. Kavokin, Fine structure of localized exciton levels in quantum wells, Journal of Experimental and Theoretical Physics 86, 388 (1998).
- S. V. Gupalov and E. L. Ivchenko, The fine structure of excitonic levels in cdse nanocrystals, Physics of the Solid State 42, 2030–2038 (2000).
- F. W. Wise, Lead salt quantum dots: the limit of strong quantum confinement, Accounts of Chemical Research 33, 773–780 (2000).
- G. Bir and G. Pikus, Symmetry and Strain-Induced Effects in Semiconductors (Wiley, New York, 1974).
- A. Zee, Group theory in a nutshell for physicists, In a Nutshell (Princeton University Press, Princeton, NJ, 2016).
- D. S. Matteson and R. S. Tsay, Independent component analysis via distance covariance, Journal of the American Statistical Association 112, 623 (2017).
- D. A. Varshalovich, A. N. Moskalev, and V. K. Khersonskii, Quantum theory of angular momentum (World Scientific, 1988).
Paper Prompts
Sign up for free to create and run prompts on this paper using GPT-5.
Top Community Prompts
Collections
Sign up for free to add this paper to one or more collections.