{"doi":"10.1063/1.1341215","title":"Theoretical prediction of the <i>Cmca</i> phase in Ge under high pressure","abstract":"<jats:p>We have performed first-principles self-consistent total-energy calculations within the local-density approximation using the full-potential linear-muffin-tin-orbital method to investigate crystal structures at high pressure in Ge. We predict a crystallographic phase transition from the simple hexagonal structure to the Cmca phase, which is similar to the Si–VI phase which has recently been observed by Hanfland et al. [Phys. Rev. Lett. 82, 1197 (1999)]. Our calculated pressure for this phase transition is around 94 GPa in Ge. Further, at the very high pressure of about 150 GPa, the Cmca phase is predicted to transform into the hexagonal-close-packed phase.</jats:p>","journal":"Journal of Applied Physics","year":2001,"id":26575,"datarank":0.4367384607676359,"base_score":1.6094379124341003,"endowment":1.6094379124341003,"self_citation_contribution":0.24141568686511508,"citation_network_contribution":0.19532277390252084,"self_endowment_contribution":0.24141568686511508,"citer_contribution":0.19532277390252084,"corpus_percentile":null,"corpus_rank":null,"citation_count":4,"citer_count":3,"citers_with_citation_signal":3,"citers_with_endowment":3,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":153451,"name":"B. Johansson","orcid":null,"position":1,"is_corresponding":false},{"id":153449,"name":"R. Ahuja","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"base_score":1.6094379124341003,"endowment":1.6094379124341003,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"18998881","pmcid":null,"openalex_id":"https://openalex.org/W2082199029","authors":[],"funders":[],"total_grants":0,"fwci":0.3513,"citation_percentile":0.62588011,"influential_citations":0,"citation_trend":[{"year":2016,"count":1}],"oa_status":"closed","license":null,"oa_locations":[{"url":"https://pubs.aip.org/aip/jap/article-pdf/89/5/2547/19174382/2547_1_online.pdf","host_type":"publisher"},{"url":"https://doi.org/10.1063/1.1341215","host_type":"journal"}],"fields_of_study":["High-pressure geophysics and materials","Crystal Structures and Properties","Boron and Carbon Nanomaterials Research","Physics","Materials Science"],"mesh_terms":[],"keywords":["Phase (matter)","Phase transition","Hexagonal crystal system","High pressure","Condensed matter physics","Germanium","Hexagonal phase","Tin","Materials science","Crystal structure","Local-density approximation","Crystallography","Electronic structure","Thermodynamics","Chemistry","Physics","Metallurgy","Silicon"],"sdg_mappings":[{"sdg_number":0,"sdg_label":"Affordable and clean energy"}],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-06-08T14:55:38.977861Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}