DENSITY FUNCTIONAL CALCULATION OF THE ELECTRONIC STRUCTURES OF SOME A5B6C7-TYPE CRYSTALS

Name: Work Video:
Duration: 3 min 30 s
Description: The electronic band structures of some A 5 B 6 C 7 -type ternary compounds, BiSeI , BiSI , BiSCl , BiSBr , BiSeBr and SbSeBr , are investigated using the density functional theory and pseudopotential theory under the generalized gradient approximation (GGA). The electronic band structures obtained show that these crystals, except for BiSeI , have an indirect band gap.
Harun Akkuş
{'id': 'https://openalex.org/W1815084813', 'doi': 'https://doi.org/10.1142/s0217979209049553', 'title': 'DENSITY FUNCTIONAL CALCULATION OF THE ELECTRONIC STRUCTURES OF SOME <font>A</font><sup>5</sup><font>B</font><sup>6</sup><font>C</font><sup>7</sup>-TYPE CRYSTALS', 'display_name': 'DENSITY FUNCTIONAL CALCULATION OF THE ELECTRONIC STRUCTURES OF SOME <font>A</font><sup>5</sup><font>B</font><sup>6</sup><font>C</font><sup>7</sup>-TYPE CRYSTALS', 'publication_year': 2009, 'publication_date': '2009-01-10', 'ids': {'openalex': 'https://openalex.org/W1815084813', 'doi': 'https://doi.org/10.1142/s0217979209049553', 'mag': '1815084813'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1142/s0217979209049553', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S130197424', 'display_name': 'International Journal of Modern Physics B', 'issn_l': '0217-9792', 'issn': ['0217-9792', '1793-6578'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310319815', 'host_organization_name': 'World Scientific', 'host_organization_lineage': ['https://openalex.org/P4310319815'], 'host_organization_lineage_names': ['World Scientific'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref'], 'open_access': {'is_oa': False, 'oa_status': 'closed', 'oa_url': None, 'any_repository_has_fulltext': False}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5007781484', 'display_name': 'Harun Akkuş', 'orcid': 'https://orcid.org/0000-0003-1266-304X'}, 'institutions': [{'id': 'https://openalex.org/I118567650', 'display_name': 'Van Yüzüncü Yıl Üniversitesi', 'ror': 'https://ror.org/041jyzp61', 'country_code': 'TR', 'type': 'education', 'lineage': ['https://openalex.org/I118567650']}], 'countries': ['TR'], 'is_corresponding': True, 'raw_author_name': 'HARUN AKKUS', 'raw_affiliation_strings': ['Department of Physics, Yuzuncu Yil University, 65080, Van, Turkey'], 'affiliations': [{'raw_affiliation_string': 'Department of Physics, Yuzuncu Yil University, 65080, Van, Turkey', 'institution_ids': ['https://openalex.org/I118567650']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 1, 'corresponding_author_ids': ['https://openalex.org/A5007781484'], 'corresponding_institution_ids': ['https://openalex.org/I118567650'], 'apc_list': None, 'apc_paid': None, 'fwci': 0.574, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 8, 'citation_normalized_percentile': {'value': 0.5753, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 82, 'max': 83}, 'biblio': {'volume': '23', 'issue': '01', 'first_page': '97', 'last_page': '104'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T11341', 'display_name': 'Boron and Carbon Nanomaterials Research', 'score': 0.9999, 'subfield': {'id': 'https://openalex.org/subfields/2505', 'display_name': 'Materials Chemistry'}, 'field': {'id': 'https://openalex.org/fields/25', 'display_name': 'Materials Science'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, 'topics': [{'id': 'https://openalex.org/T11341', 'display_name': 'Boron and Carbon Nanomaterials Research', 'score': 0.9999, 'subfield': {'id': 'https://openalex.org/subfields/2505', 'display_name': 'Materials Chemistry'}, 'field': {'id': 'https://openalex.org/fields/25', 'display_name': 'Materials Science'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T11637', 'display_name': 'Advanced Semiconductor Detectors and Materials', 'score': 0.9985, 'subfield': {'id': 'https://openalex.org/subfields/2208', 'display_name': 'Electrical and Electronic Engineering'}, 'field': {'id': 'https://openalex.org/fields/22', 'display_name': 'Engineering'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/font', 'display_name': 'Font', 'score': 0.9588511}, {'id': 'https://openalex.org/keywords/electronic-band', 'display_name': 'Electronic band', 'score': 0.5193756}, {'id': 'https://openalex.org/keywords/pseudopotential', 'display_name': 'Pseudopotential', 'score': 0.4887545}], 'concepts': [{'id': 'https://openalex.org/C2777737414', 'wikidata': 'https://www.wikidata.org/wiki/Q4868296', 'display_name': 'Font', 'level': 2, 'score': 0.9588511}, {'id': 'https://openalex.org/C2993742401', 'wikidata': 'https://www.wikidata.org/wiki/Q624661', 'display_name': 'Electronic band', 'level': 3, 'score': 0.5193756}, {'id': 'https://openalex.org/C64452783', 'wikidata': 'https://www.wikidata.org/wiki/Q1524945', 'display_name': 'Ternary operation', 'level': 2, 'score': 0.51139444}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.5039074}, {'id': 'https://openalex.org/C132378524', 'wikidata': 'https://www.wikidata.org/wiki/Q769463', 'display_name': 'Pseudopotential', 'level': 2, 'score': 0.4887545}, {'id': 'https://openalex.org/C181966813', 'wikidata': 'https://www.wikidata.org/wiki/Q806352', 'display_name': 'Band gap', 'level': 2, 'score': 0.29554653}, {'id': 'https://openalex.org/C26873012', 'wikidata': 'https://www.wikidata.org/wiki/Q214781', 'display_name': 'Condensed matter physics', 'level': 1, 'score': 0.20807597}, {'id': 'https://openalex.org/C41008148', 'wikidata': 'https://www.wikidata.org/wiki/Q21198', 'display_name': 'Computer science', 'level': 0, 'score': 0.09468636}, {'id': 'https://openalex.org/C199360897', 'wikidata': 'https://www.wikidata.org/wiki/Q9143', 'display_name': 'Programming language', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C111919701', 'wikidata': 'https://www.wikidata.org/wiki/Q9135', 'display_name': 'Operating system', 'level': 1, 'score': 0.0}], 'mesh': [], 'locations_count': 1, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1142/s0217979209049553', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S130197424', 'display_name': 'International Journal of Modern Physics B', 'issn_l': '0217-9792', 'issn': ['0217-9792', '1793-6578'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310319815', 'host_organization_name': 'World Scientific', 'host_organization_lineage': ['https://openalex.org/P4310319815'], 'host_organization_lineage_names': ['World Scientific'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 22, 'referenced_works': ['https://openalex.org/W1974561646', 'https://openalex.org/W1981368803', 'https://openalex.org/W1997753014', 'https://openalex.org/W1997822969', 'https://openalex.org/W2017395546', 'https://openalex.org/W2022883298', 'https://openalex.org/W2023861251', 'https://openalex.org/W2029666403', 'https://openalex.org/W2030421660', 'https://openalex.org/W2031467121', 'https://openalex.org/W2035223648', 'https://openalex.org/W2036113194', 'https://openalex.org/W2040846241', 'https://openalex.org/W2045596260', 'https://openalex.org/W2057925354', 'https://openalex.org/W2070649069', 'https://openalex.org/W2072209089', 'https://openalex.org/W2077604366', 'https://openalex.org/W2098432400', 'https://openalex.org/W2230728100', 'https://openalex.org/W3103887024', 'https://openalex.org/W4230003978'], 'related_works': ['https://openalex.org/W3126477563', 'https://openalex.org/W2935759653', 'https://openalex.org/W2077513744', 'https://openalex.org/W2060491993', 'https://openalex.org/W2053894556', 'https://openalex.org/W2030356542', 'https://openalex.org/W1989182097', 'https://openalex.org/W1980097748', 'https://openalex.org/W1970398701', 'https://openalex.org/W1964115980'], 'abstract_inverted_index': {'The': [0, 43], 'electronic': [1, 44], 'band': [2, 45, 59], 'structures': [3, 46], 'of': [4], 'some': [5], 'A': [6], '5': [7], 'B': [8], '6': [9], 'C': [10], '7': [11], '-type': [12], 'ternary': [13], 'compounds,': [14], 'BiSeI': [15, 54], ',': [16, 18, 20, 22, 26, 55], 'BiSI': [17], 'BiSCl': [19], 'BiSBr': [21], 'BiSeBr': [23], 'and': [24, 34], 'SbSeBr': [25], 'are': [27], 'investigated': [28], 'using': [29], 'the': [30, 38], 'density': [31], 'functional': [32], 'theory': [33, 36], 'pseudopotential': [35], 'under': [37], 'generalized': [39], 'gradient': [40], 'approximation': [41], '(GGA).': [42], 'obtained': [47], 'show': [48], 'that': [49], 'these': [50], 'crystals,': [51], 'except': [52], 'for': [53], 'have': [56], 'an': [57], 'indirect': [58], 'gap.': [60]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W1815084813', 'counts_by_year': [{'year': 2018, 'cited_by_count': 1}, {'year': 2016, 'cited_by_count': 2}, {'year': 2013, 'cited_by_count': 1}], 'updated_date': '2024-12-08T10:34:20.113462', 'created_date': '2016-06-24'}
Publication Information

Basic Information

Access and Citation

AI Researcher Chatbot

Primary Location

Authors

Topics

Keywords

Related Works
