DC Field | Value | Language |
---|---|---|
dc.contributor.author | CHO | - |
dc.contributor.author | JH | - |
dc.contributor.author | KANG | - |
dc.contributor.author | MH | - |
dc.date.accessioned | 2015-06-25T02:58:12Z | - |
dc.date.available | 2015-06-25T02:58:12Z | - |
dc.date.created | 2009-03-19 | - |
dc.date.issued | 1993-02-01 | - |
dc.identifier.issn | 1098-0121 | - |
dc.identifier.other | 2015-OAK-0000008686 | en_US |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/11974 | - |
dc.description.abstract | The structural properties of body-centered-cubic Mo are studied using a plane-wave basis and norm-conserving pseudopotential scheme with partial-core correction. We find that the equilibrium lattice constants, bulk moduli, and cohesive energies converge very rapidly as the partial-core cutoff radius decreases and thus a relatively large partial-core cutoff radius (and the corresponding smoother partial-core density) can be used in solid-state calculations. In addition, since the numerical description of the structural properties converges with the present plane-wave basis with the kinetic-energy cutoff up to E(pw) = 50 Ry, our results are useful for isolating the convergence problem in the previous studies employing nonorthogonal bases. | - |
dc.description.statementofresponsibility | open | en_US |
dc.language | English | - |
dc.publisher | AMERICAN PHYSICAL SOC | - |
dc.relation.isPartOf | PHYSICAL REVIEW B | - |
dc.rights | BY_NC_ND | en_US |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/2.0/kr | en_US |
dc.title | BULK STRUCTURAL-PROPERTIES OF MO - PLANE-WAVE-BASIS PSEUDOPOTENTIAL STUDY WITH A PARTIAL-CORE-CORRECTION SCHEME | - |
dc.type | Article | - |
dc.contributor.college | 물리학과 | en_US |
dc.identifier.doi | 10.1103/PhysRevB.47.2979 | - |
dc.author.google | CHO, JH | en_US |
dc.author.google | KANG, MH | en_US |
dc.relation.volume | 47 | en_US |
dc.relation.startpage | 2979 | en_US |
dc.relation.lastpage | 2982 | en_US |
dc.contributor.id | 10105469 | en_US |
dc.relation.journal | PHYSICAL REVIEW B | en_US |
dc.relation.index | SCI급, SCOPUS 등재논문 | en_US |
dc.relation.sci | SCI | en_US |
dc.collections.name | Journal Papers | en_US |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | PHYSICAL REVIEW B, v.47, no.6, pp.2979 - 2982 | - |
dc.identifier.wosid | A1993KM95300003 | - |
dc.citation.endPage | 2982 | - |
dc.citation.number | 6 | - |
dc.citation.startPage | 2979 | - |
dc.citation.title | PHYSICAL REVIEW B | - |
dc.citation.volume | 47 | - |
dc.contributor.affiliatedAuthor | JH | - |
dc.identifier.scopusid | 2-s2.0-33744567783 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.wostc | 3 | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | NORM-CONSERVING PSEUDOPOTENTIALS | - |
dc.subject.keywordPlus | GROUND-STATE | - |
dc.subject.keywordPlus | 1ST-PRINCIPLES | - |
dc.subject.keywordPlus | METALS | - |
dc.subject.keywordPlus | BCC | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Physics, Applied | - |
dc.relation.journalWebOfScienceCategory | Physics, Condensed Matter | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.relation.journalResearchArea | Physics | - |
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