Nupur P. Vora, Priyank V. Kumar, S. Vyas, N. K. Bhatt, P. R. Vyas, V. Gohel
{"title":"Lattice mechanical properties of Rh0.6Ag0.4 and Rh0.8Ag0.2: A pseudopotential approach","authors":"Nupur P. Vora, Priyank V. Kumar, S. Vyas, N. K. Bhatt, P. R. Vyas, V. Gohel","doi":"10.1063/5.0061023","DOIUrl":null,"url":null,"abstract":"Transition metal alloys are valuable in material science research. In the present communication, Transition Metal Pseudopotential has been used to investigate lattice dynamics in symmetry and non-symmetry directions for binary alloy h ( = 0.6, 0.8). In absence of any neutron scattering data and theoretical results, we present theoretical results which may be considered as a prediction. Further, we have studied temperature variation of Debye temperature ( ) and dynamical elastic constants ( , and ). As experimental results are not available for elastic constants, we have compared our results with the values obtained by first principles method. Presently obtained results are comparable with such theoretical results.","PeriodicalId":18837,"journal":{"name":"NATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF MATERIALS: NCPCM2020","volume":"7 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"NATIONAL CONFERENCE ON PHYSICS AND CHEMISTRY OF MATERIALS: NCPCM2020","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1063/5.0061023","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
Transition metal alloys are valuable in material science research. In the present communication, Transition Metal Pseudopotential has been used to investigate lattice dynamics in symmetry and non-symmetry directions for binary alloy h ( = 0.6, 0.8). In absence of any neutron scattering data and theoretical results, we present theoretical results which may be considered as a prediction. Further, we have studied temperature variation of Debye temperature ( ) and dynamical elastic constants ( , and ). As experimental results are not available for elastic constants, we have compared our results with the values obtained by first principles method. Presently obtained results are comparable with such theoretical results.