{"id":590965,"date":"2019-03-13T08:10:02","date_gmt":"2019-03-13T12:10:02","guid":{"rendered":"http:\/\/spaceweekly.com\/?guid=d8d33af540ffa6d996dbc89f54d37bad"},"modified":"2019-03-13T08:10:02","modified_gmt":"2019-03-13T12:10:02","slug":"researchers-improve-description-of-defective-oxides-with-first-principles-calculation","status":"publish","type":"post","link":"https:\/\/spaceweekly.com\/?p=590965","title":{"rendered":"Researchers improve description of defective oxides with first principles calculation"},"content":{"rendered":"<p>Understanding how defects can affect ground-state properties, promote phase transitions, or enable entirely new functionalities in some strongly correlated oxides has become a subject of major interest in the field of design and discovery of novel functional materials. SrMnO3 (SMO) is a particularly interesting example, but better characterization is needed. MARVEL researchers have now a developed a method that may lead to more accurate predictions of the energetics of defects associated with in-gap states in semiconductors or insulators.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Understanding how defects can affect ground-state properties, promote phase transitions, or enable entirely new functionalities in some strongly correlated oxides has become a subject of major interest in the field of design and discovery of novel func&#8230;<\/p>\n","protected":false},"author":0,"featured_media":615444,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[],"tags":[],"class_list":["post-590965","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry"],"_links":{"self":[{"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/posts\/590965","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"replies":[{"embeddable":true,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=590965"}],"version-history":[{"count":1,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/posts\/590965\/revisions"}],"predecessor-version":[{"id":590966,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/posts\/590965\/revisions\/590966"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=\/wp\/v2\/media\/615444"}],"wp:attachment":[{"href":"https:\/\/spaceweekly.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=590965"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=590965"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/spaceweekly.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=590965"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}