Wigner localization in quantum dots from Kohn-Sham density functional theory without symmetry breaking

Christian B. Mendl; Francesc Malet; Paola Gori-Giorgi

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Wigner localization in quantum dots from Kohn-Sham density functional theory without symmetry breaking

机译：基于Kohn-Sham密度泛函理论的量子点中的维格纳定位，没有对称性破坏

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摘要

We address low-density two-dimensional circular quantum dots with spin-restricted Kohn-Sham density functional theory. By using an exchange-correlation functional that encodes the effects of the strongly correlated regime (and that becomes exact in the limit of infinite correlation), we are able to reproduce characteristic phenomena such as the formation of ring structures in the electronic total density, preserving the fundamental circular symmetry of the system. The observation of this and other well-known effects in Wigner-localized quantum dots such as the flattening of the addition energy spectra has until now only been within the scope of other, numerically more demanding theoretical approaches.

机译：我们用自旋受限的Kohn-Sham密度泛函理论研究了低密度的二维圆形量子点。通过使用交换相关函数，该函数对强相关机制的作用进行编码（并且在无限相关的范围内变得精确），我们能够重现特征现象，例如在电子总密度中形成环结构，从而保持系统的基本圆形对称性。直到现在，在威格纳局部量子点中对这种效应和其他众所周知的效应（例如加能谱的展平）的观察仅在其他对数值要求更高的理论方法的范围内。

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来源
《Physical review》 |2014年第12期|125106.1-125106.8|共8页
作者
Christian B. Mendl; Francesc Malet; Paola Gori-Giorgi;
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作者单位

Mathematics Department, Technische Universitaet Muenchen, Boltzmannstrasse 3, 85748 Garching bei Muenchen, Germany;

Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, FEW, Vrije Universiteit, De Boelelaan 1083, 1081HV Amsterdam, The Netherlands;

Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, FEW, Vrije Universiteit, De Boelelaan 1083, 1081HV Amsterdam, The Netherlands;

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正文语种 eng
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quantum dots; density functional theory, local density approximation, gradient and other corrections; coulomb blockade; single-electron tunneling;

机译：量子点;密度泛函理论;局部密度近似;梯度和其他校正;库仑封锁;单电子隧穿;

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1. Kohn-Sham Density Functional Theory with Complex, Spin-Restricted Orbitals: Accessing a New Class of Densities without the Symmetry Dilemma [J] . Lee Joonho, Bertels Luke W., Small David W., Physical review letters . 2019,第11期

机译：具有复杂的自旋受限轨道的Kohn-Sham密度泛函理论：在没有对称困境的情况下获得新的一类密度
2. Exact-exchange spin-density functional theory of Wigner localization and phase transitions in quantum rings [J] . Arnold T., Siegmund M., Pankratov O. Journal of Physics. Condensed Matter . 2011,第33期

机译：量子环中Wigner定位和相变的精确交换自旋密度泛函理论
3. Symmetry breaking and Wigner molecules in few-electron quantum dots [J] . Constantine Yannouleas, Uzi Landman Physica Status Solidi. A, Applications and Materials Science . 2006,第6期

机译：少数电子量子点中的对称破坏和维格纳分子
4. First-principle Study of Quantum Confinement Effect on Small Sized Silicon Quantum Dots using Density-Functional Theory [C] . M.M. Anas, A.P Othman, G. Gopir UKM FST Postgraduate Colloquium . 2014

机译：利用密度函数理论对小型硅量子点的量子限制效应的第一原理研究
5. Wigner high-electron-correlation regime of non-uniform density systems: A quantal-density-functional-theory study. [D] . Achan, Douglas M. 2015

机译：非均匀密度系统的Wigner高电子相关机制：量子密度函数理论研究。
6. Wigner high-electron-correlation regime of nonuniform density systems: A quantal-density-functional-theory study [O] . Douglas Achan, Lou Massa, Viraht Sahni -1

机译：非均匀密度系统的Wigner高电子相关机制：量子密度泛函理论研究
7. Wigner Localization in Quantum Dots from Kohn-Sham Density Functional Theory Without Symmetry Breaking [O] . Mendl, C.B., Malet Giralt, F., Gori Giorgi, P. 2014

机译：从Kohn-Sham密度泛函理论看量子点中的Wigner局部化而没有对称性破缺

Wigner localization in quantum dots from Kohn-Sham density functional theory without symmetry breaking

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