Least-action principle for envelope functions in abrupt heterostructures

Rodina, A V; Alekseev, A Yu

doi:10.1103/PHYSREVB.73.1

Title: Least-action principle for envelope functions in abrupt heterostructures

Full Record
Other Related Research

Abstract

We apply the envelope function approach to abrupt heterostructures starting with the least-action principle for the microscopic wave function. The interface is treated nonperturbatively, and our approach is applicable to mismatched heterostructure. We obtain the interface connection rules for the multiband envelope function and the multiband heterostructure Hamiltonian from the k{center_dot}p version of the variational principle. The k{center_dot}p heterostructure Hamiltonian contains the short-range interface terms which consist of two physically distinct contributions. The first one depends only on the structure of the interface, and the second one is completely determined by the bulk parameters. We discover new structure inversion asymmetry terms and new magnetic energy terms important in spintronic applications.

Authors:

Rodina, A V ^[1]; Alekseev, A Yu ^[2]

A. F. Ioffe Physico-Technical Institute, 194021, St.-Petersburg (Russian Federation)
Department of Mathematics, University of Geneva, 1211 Geneva (Switzerland)

Publication Date:: Wed Mar 15 00:00:00 EST 2006

OSTI Identifier:: 20788007

Resource Type:: Journal Article

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Volume: 73; Journal Issue: 11; Other Information: DOI: 10.1103/PhysRevB.73.115312; (c) 2006 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1098-0121

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ASYMMETRY; HAMILTONIANS; HETEROJUNCTIONS; INTERFACES; VARIATIONAL METHODS; WAVE FUNCTIONS

Citation Formats


                    Rodina, A V, Alekseev, A Yu, and Institute of Theoretical Physics, Uppsala University, S-75108, Uppsala. Least-action principle for envelope functions in abrupt heterostructures.  United States: N. p., 2006. 
        Web.  doi:10.1103/PHYSREVB.73.1.

Copy to clipboard


                    Rodina, A V, Alekseev, A Yu, & Institute of Theoretical Physics, Uppsala University, S-75108, Uppsala. Least-action principle for envelope functions in abrupt heterostructures.  United States.  https://doi.org/10.1103/PHYSREVB.73.1

Copy to clipboard


                    Rodina, A V, Alekseev, A Yu, and Institute of Theoretical Physics, Uppsala University, S-75108, Uppsala. 2006.  
        "Least-action principle for envelope functions in abrupt heterostructures".  United States.  https://doi.org/10.1103/PHYSREVB.73.1.

Copy to clipboard


                    
@article{osti_20788007,

  title        = {Least-action principle for envelope functions in abrupt heterostructures},

  author       = {Rodina, A V and Alekseev, A Yu and Institute of Theoretical Physics, Uppsala University, S-75108, Uppsala},

  abstractNote = {We apply the envelope function approach to abrupt heterostructures starting with the least-action principle for the microscopic wave function. The interface is treated nonperturbatively, and our approach is applicable to mismatched heterostructure. We obtain the interface connection rules for the multiband envelope function and the multiband heterostructure Hamiltonian from the k{center_dot}p version of the variational principle. The k{center_dot}p heterostructure Hamiltonian contains the short-range interface terms which consist of two physically distinct contributions. The first one depends only on the structure of the interface, and the second one is completely determined by the bulk parameters. We discover new structure inversion asymmetry terms and new magnetic energy terms important in spintronic applications.},

  doi          = {10.1103/PHYSREVB.73.1},

  url          = {https://www.osti.gov/biblio/20788007},
  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  issn         = {1098-0121},

  number       = 11,

  volume       = 73,

  place        = {United States},

  year         = {Wed Mar 15 00:00:00 EST 2006},

  month        = {Wed Mar 15 00:00:00 EST 2006}

}

Copy to clipboard

Journal Article:

https://doi.org/10.1103/PHYSREVB.73.1

Other availability

Find in Google Scholar

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

Effective spin-mixing conductance of topological-insulator/ferromagnet and heavy-metal/ferromagnet spin-orbit-coupled interfaces: A first-principles Floquet-nonequilibrium Green function approach

Journal Article Dolui, Kapildeb; Bajpai, Utkarsh; Nikolić, Branislav - Physical Review Materials

The spin-mixing conductance (SMC) is a key quantity determining efficiency of spin transport across interfaces. Thus, knowledge of its precise value is required for accurate measurement of parameters quantifying numerous effects in spintronics, such as spin-orbit torque, spin Hall magnetoresistance, spin Hall effect, and spin pumping. However, the standard expression for SMC, provided by the scattering theory in terms of the reflection probability amplitudes, is inapplicable when strong spin-orbit coupling (SOC) is present directly at the interface. This is the precisely the case of topological-insulator/ferromagnet and heavy-metal/ferromagnet interfaces of great contemporary interest. We introduce an approach where first-principles Hamiltonian ofmore »« less
https://doi.org/10.1103/physrevmaterials.4.121201

Full Text Available
Giant tunable Rashba spin splitting in a two-dimensional BiSb monolayer and in BiSb/AlN heterostructures

Journal Article Singh, Sobhit; Romero, Aldo - Physical Review B

The search for novel two-dimensional giant Rashba semiconductors is a crucial step in the development of the forth coming nanospintronic technology. Using first-principles calculations, we study a stable two-dimension alcrystal phase of BiSb having buckled honeycomb lattice geometry, which is yet unexplored. The phonon, room temperature molecular dynamics, and elastic constant calculations verify the dynamical and mechanical stability of the monolayer at 0 K and at room temperature. The calculated electronic band structure reveals the direct bandgap semiconducting nature of a BiSb monolayer with the presence of a highly mobile two-dimensional electron gas(2DEG) near the Fermi level. Inclusion of spin-orbitmore »« less
Cited by 114
https://doi.org/10.1103/PhysRevB.95.165444

Full Text Available
A Simple Numerical Method for Determining the Energy Spectrum of Charge Carriers in Semiconductor Heterostructures

Journal Article

A simple numerical method for determining the energy spectrum and wave functions of charge carriers in semiconductor heterostructures (quantum wells, wires, dots, and superlattices) is proposed that employs the effective mass approximation in the general case of multiband kp Hamiltonian corresponding to the Γ point of the Brillouin zone. The method is based on the Fourier transform for structures with periodic potential. For single heterostructures, this periodicity is introduced artificially. In the framework of the proposed approach, the effective matrix Hamiltonian of a heterostructure can be written in two unitarily-equivalent a- and k-representations. As an example, single-band kp models ofmore »« less
https://doi.org/10.1134/S1063785018030161
Quantum mechanical solver for confined heterostructure tunnel field-effect transistors

Journal Article Verreck, Devin; Groeseneken, Guido; Van de Put, Maarten; ... - Journal of Applied Physics

Heterostructure tunnel field-effect transistors (HTFET) are promising candidates for low-power applications in future technology nodes, as they are predicted to offer high on-currents, combined with a sub-60 mV/dec subthreshold swing. However, the effects of important quantum mechanical phenomena like size confinement at the heterojunction are not well understood, due to the theoretical and computational difficulties in modeling realistic heterostructures. We therefore present a ballistic quantum transport formalism, combining a novel envelope function approach for semiconductor heterostructures with the multiband quantum transmitting boundary method, which we extend to 2D potentials. We demonstrate an implementation of a 2-band version of the formalism andmore »« less
https://doi.org/10.1063/1.4864128
Controlling Axial p-n Heterojunction Abruptness Through Catalyst Alloying in Vapor-Liquid-Solid Grown Semiconductor Nanowires

Journal Article Perea, Daniel; Schreiber, Daniel; Devaraj, Arun; ... - Microscopy and Microanalysis, 18(Suppl. 2):1860-1861

The p-n junction can be regarded as the most important electronic structure that is responsible for the ubiquity of semiconductor microelectronics today. Efforts to continually scale down the size of electronic components is guiding research to explore the use of nanomaterials synthesized from a bottom-up approach - group-IV semiconductor nanowires being one such material. However, Au-catalyzed synthesis of Si/Si1-x-Gex semiconductor nanowire heterojunctions using the commonly-used vapor-liquid-solid (VLS) growth technique results in diffuse heterojunction interfaces [1], leading to doubts of producing compositionally-sharp p-n junctions using this approach. However, we have recently reported the ability to increase Ge-Si nanowire heterojunction abruptness bymore »« less
https://doi.org/10.1017/S1431927612011154

Similar Records