6533b7d3fe1ef96bd125ff87

RESEARCH PRODUCT

Computer Simulations of the Band Structure and Density of States of the Linear Chains of NaCl Ions

Nurgul ZhanturinaAnatoli I. PopovD. M. SergeyevA.s. IstlyaupL. MyasnikovaK. Sh. Shunkeyev

subject

nacltotal energyMaterials sciencePhysicsQC1-999band structureGeneral EngineeringGeneral Physics and Astronomy02 engineering and technology021001 nanoscience & nanotechnology01 natural sciencesMolecular physicsIonNaCl0103 physical sciencesdensity of statesDensity of states:NATURAL SCIENCES:Physics [Research Subject Categories]computer simulationsTotal energy010306 general physics0210 nano-technologyElectronic band structure

description

The authors thank Eugene Kotomin and V. Kuzovkov for fruitful discussions and valuable suggestions. A.I.P thanks A.Moskina for the technical assistance in preparation of the manuscript. A.I.P also gratefully acknowledges a project LZP-2018/1-0214 from the Latvian Council of Science for partial support.

10.2478/lpts-2019-0024https://dspace.lu.lv/dspace/handle/7/52402