Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W2750807923', 'doi': 'https://doi.org/10.1088/1674-1056/26/9/096301', 'title': 'First-principles investigations on the mechanical, thermal, electronic, and optical properties of the defect perovskites Cs <sub>2</sub> Sn <i>X</i> <sub>6</sub> ( <i>X</i> = Cl, Br, I)', 'display_name': 'First-principles investigations on the mechanical, thermal, electronic, and optical properties of the defect perovskites Cs <sub>2</sub> Sn <i>X</i> <sub>6</sub> ( <i>X</i> = Cl, Br, I)', 'publication_year': 2017, 'publication_date': '2017-08-01', 'ids': {'openalex': 'https://openalex.org/W2750807923', 'doi': 'https://doi.org/10.1088/1674-1056/26/9/096301', 'mag': '2750807923'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1088/1674-1056/26/9/096301', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S33442941', 'display_name': 'Chinese Physics B', 'issn_l': '1674-1056', 'issn': ['1674-1056', '2058-3834'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320083', 'host_organization_name': 'IOP Publishing', 'host_organization_lineage': ['https://openalex.org/P4310311669', 'https://openalex.org/P4310320083'], 'host_organization_lineage_names': ['Institute of Physics', 'IOP Publishing'], '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/A5042792099', 'display_name': 'Haiming Huang', 'orcid': 'https://orcid.org/0000-0001-5872-9521'}, 'institutions': [{'id': 'https://openalex.org/I4210126203', 'display_name': 'Hubei University of Automotive Technology', 'ror': 'https://ror.org/039m95m06', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I4210126203']}, {'id': 'https://openalex.org/I37802460', 'display_name': 'Northwest University', 'ror': 'https://ror.org/00z3td547', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I37802460']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Hai-Ming Huang', 'raw_affiliation_strings': ['School of Science, Hubei University of Automotive Technology, Shiyan 442002, China', "Shaanxi Key Laboratory for Theoretical Physics Frontiers, Institute of Model Physics, Northwest University, Xi'an 710069, China"], 'affiliations': [{'raw_affiliation_string': 'School of Science, Hubei University of Automotive Technology, Shiyan 442002, China', 'institution_ids': ['https://openalex.org/I4210126203']}, {'raw_affiliation_string': "Shaanxi Key Laboratory for Theoretical Physics Frontiers, Institute of Model Physics, Northwest University, Xi'an 710069, China", 'institution_ids': ['https://openalex.org/I37802460']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5113859728', 'display_name': 'Zhenyi Jiang', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I37802460', 'display_name': 'Northwest University', 'ror': 'https://ror.org/00z3td547', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I37802460']}], 'countries': ['CN'], 'is_corresponding': True, 'raw_author_name': 'Zhen-Yi Jiang', 'raw_affiliation_strings': ["Shaanxi Key Laboratory for Theoretical Physics Frontiers, Institute of Model Physics, Northwest University, Xi'an 710069, China"], 'affiliations': [{'raw_affiliation_string': "Shaanxi Key Laboratory for Theoretical Physics Frontiers, Institute of Model Physics, Northwest University, Xi'an 710069, China", 'institution_ids': ['https://openalex.org/I37802460']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5101980815', 'display_name': 'Shijun Luo', 'orcid': 'https://orcid.org/0000-0002-5235-3321'}, 'institutions': [{'id': 'https://openalex.org/I4210126203', 'display_name': 'Hubei University of Automotive Technology', 'ror': 'https://ror.org/039m95m06', 'country_code': 'CN', 'type': 'education', 'lineage': ['https://openalex.org/I4210126203']}], 'countries': ['CN'], 'is_corresponding': False, 'raw_author_name': 'Shi-Jun Luo', 'raw_affiliation_strings': ['School of Science, Hubei University of Automotive Technology, Shiyan 442002, China'], 'affiliations': [{'raw_affiliation_string': 'School of Science, Hubei University of Automotive Technology, Shiyan 442002, China', 'institution_ids': ['https://openalex.org/I4210126203']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 2, 'corresponding_author_ids': ['https://openalex.org/A5113859728'], 'corresponding_institution_ids': ['https://openalex.org/I37802460'], 'apc_list': None, 'apc_paid': None, 'fwci': 1.169, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 66, 'citation_normalized_percentile': {'value': 0.840279, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 97, 'max': 98}, 'biblio': {'volume': '26', 'issue': '9', 'first_page': '096301', 'last_page': '096301'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10247', 'display_name': 'Perovskite Materials and Applications', 'score': 1.0, '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'}}, 'topics': [{'id': 'https://openalex.org/T10247', 'display_name': 'Perovskite Materials and Applications', 'score': 1.0, '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'}}, {'id': 'https://openalex.org/T11878', 'display_name': 'Solid-state spectroscopy and crystallography', 'score': 0.9979, '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/T10590', 'display_name': 'Chalcogenide Semiconductor Thin Films', 'score': 0.9967, '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': [], 'concepts': [{'id': 'https://openalex.org/C192562407', 'wikidata': 'https://www.wikidata.org/wiki/Q228736', 'display_name': 'Materials science', 'level': 0, 'score': 0.74626213}, {'id': 'https://openalex.org/C189394030', 'wikidata': 'https://www.wikidata.org/wiki/Q53860', 'display_name': 'Atomic orbital', 'level': 3, 'score': 0.6242159}, {'id': 'https://openalex.org/C46062151', 'wikidata': 'https://www.wikidata.org/wiki/Q19605', 'display_name': 'Halogen', 'level': 3, 'score': 0.6052865}, {'id': 'https://openalex.org/C181966813', 'wikidata': 'https://www.wikidata.org/wiki/Q806352', 'display_name': 'Band gap', 'level': 2, 'score': 0.57217985}, {'id': 'https://openalex.org/C168900304', 'wikidata': 'https://www.wikidata.org/wiki/Q171407', 'display_name': 'Valence (chemistry)', 'level': 2, 'score': 0.55380553}, {'id': 'https://openalex.org/C86025842', 'wikidata': 'https://www.wikidata.org/wiki/Q5358432', 'display_name': 'Electronic structure', 'level': 2, 'score': 0.52309847}, {'id': 'https://openalex.org/C22693506', 'wikidata': 'https://www.wikidata.org/wiki/Q3075290', 'display_name': 'Hybrid functional', 'level': 3, 'score': 0.49170834}, {'id': 'https://openalex.org/C119824511', 'wikidata': 'https://www.wikidata.org/wiki/Q13553575', 'display_name': 'Absorption spectroscopy', 'level': 2, 'score': 0.46056113}, {'id': 'https://openalex.org/C85725439', 'wikidata': 'https://www.wikidata.org/wiki/Q466686', 'display_name': 'Anisotropy', 'level': 2, 'score': 0.42635354}, {'id': 'https://openalex.org/C152365726', 'wikidata': 'https://www.wikidata.org/wiki/Q1048589', 'display_name': 'Density functional theory', 'level': 2, 'score': 0.37638515}, {'id': 'https://openalex.org/C184779094', 'wikidata': 'https://www.wikidata.org/wiki/Q26383', 'display_name': 'Atomic physics', 'level': 1, 'score': 0.36253846}, {'id': 'https://openalex.org/C41999313', 'wikidata': 'https://www.wikidata.org/wiki/Q489328', 'display_name': 'Molecular physics', 'level': 1, 'score': 0.33532876}, {'id': 'https://openalex.org/C49040817', 'wikidata': 'https://www.wikidata.org/wiki/Q193091', 'display_name': 'Optoelectronics', 'level': 1, 'score': 0.30650273}, {'id': 'https://openalex.org/C26873012', 'wikidata': 'https://www.wikidata.org/wiki/Q214781', 'display_name': 'Condensed matter physics', 'level': 1, 'score': 0.28546378}, {'id': 'https://openalex.org/C147120987', 'wikidata': 'https://www.wikidata.org/wiki/Q2225', 'display_name': 'Electron', 'level': 2, 'score': 0.22660962}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.15236166}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.14078611}, {'id': 'https://openalex.org/C120665830', 'wikidata': 'https://www.wikidata.org/wiki/Q14620', 'display_name': 'Optics', 'level': 1, 'score': 0.12427974}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.10511476}, {'id': 'https://openalex.org/C2780263894', 'wikidata': 'https://www.wikidata.org/wiki/Q335268', 'display_name': 'Alkyl', 'level': 2, 'score': 0.0}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C62520636', 'wikidata': 'https://www.wikidata.org/wiki/Q944', 'display_name': 'Quantum mechanics', 'level': 1, 'score': 0.0}], 'mesh': [], 'locations_count': 1, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1088/1674-1056/26/9/096301', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S33442941', 'display_name': 'Chinese Physics B', 'issn_l': '1674-1056', 'issn': ['1674-1056', '2058-3834'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320083', 'host_organization_name': 'IOP Publishing', 'host_organization_lineage': ['https://openalex.org/P4310311669', 'https://openalex.org/P4310320083'], 'host_organization_lineage_names': ['Institute of Physics', 'IOP Publishing'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [{'id': 'https://metadata.un.org/sdg/7', 'score': 0.85, 'display_name': 'Affordable and clean energy'}], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 41, 'referenced_works': ['https://openalex.org/W1937389115', 'https://openalex.org/W1946383872', 'https://openalex.org/W1974649904', 'https://openalex.org/W1979682284', 'https://openalex.org/W1981368803', 'https://openalex.org/W1985478851', 'https://openalex.org/W1998343415', 'https://openalex.org/W2003370886', 'https://openalex.org/W2004318959', 'https://openalex.org/W2005631912', 'https://openalex.org/W2007395042', 'https://openalex.org/W2033191340', 'https://openalex.org/W2042468043', 'https://openalex.org/W2045586093', 'https://openalex.org/W2051540793', 'https://openalex.org/W2056614992', 'https://openalex.org/W2057327293', 'https://openalex.org/W2059166625', 'https://openalex.org/W2060783440', 'https://openalex.org/W2073531811', 'https://openalex.org/W2076462975', 'https://openalex.org/W2086232699', 'https://openalex.org/W2147878073', 'https://openalex.org/W2154863148', 'https://openalex.org/W2171105325', 'https://openalex.org/W2254141549', 'https://openalex.org/W2295658443', 'https://openalex.org/W2319843950', 'https://openalex.org/W2321973456', 'https://openalex.org/W2333110439', 'https://openalex.org/W2385352553', 'https://openalex.org/W2402180953', 'https://openalex.org/W2409037280', 'https://openalex.org/W2491670377', 'https://openalex.org/W2509165763', 'https://openalex.org/W2523562186', 'https://openalex.org/W2559237020', 'https://openalex.org/W2588207426', 'https://openalex.org/W2949249635', 'https://openalex.org/W3105320336', 'https://openalex.org/W4239554990'], 'related_works': ['https://openalex.org/W2950021204', 'https://openalex.org/W2605562639', 'https://openalex.org/W2544705135', 'https://openalex.org/W2494761937', 'https://openalex.org/W2482321533', 'https://openalex.org/W2316172436', 'https://openalex.org/W2131566263', 'https://openalex.org/W2092924918', 'https://openalex.org/W2033574023', 'https://openalex.org/W1999241501'], 'abstract_inverted_index': {'The': [0, 31, 58, 137], 'mechanical': [1], 'properties,': [2, 4], 'thermal': [3], 'electronic': [5], 'structures,': [6], 'and': [7, 27, 47, 61, 66, 71, 92, 122, 147], 'optical': [8, 116], 'properties': [9, 108], 'of': [10, 85, 102, 134, 152], 'the': [11, 55, 80, 88, 97, 103, 119, 123, 129, 132, 145], 'defect': [12, 138], 'perovskites': [13, 139], 'Cs2SnX6': [14], '(X': [15], '=': [16], 'Cl,': [17], 'Br,': [18], 'I)': [19], 'were': [20], 'investigated': [21], 'by': [22], 'first-principles': [23], 'calculation': [24], 'using': [25], 'PBE': [26], 'HSE06': [28, 37], 'hybrid': [29], 'functional.': [30], 'optic': [32], 'band': [33, 82, 99], 'gaps': [34], 'based': [35], 'on': [36], 'are': [38, 63, 68, 140], '3.83': [39], 'eV': [40, 44, 49], 'for': [41, 45, 50, 143], 'Cs2SnCl6,': [42, 59], '2.36': [43], 'Cs2SnBr6,': [46, 60], '0.92': [48], 'Cs2SnI6,': [51], 'which': [52], 'agree': [53], 'with': [54, 128], 'experimental': [56], 'results.': [57], 'Cs2SnI6': [62], 'mechanically': [64], 'stable': [65], 'they': [67], 'all': [69], 'anisotropic': [70], 'ductile': [72], 'in': [73, 118, 131], 'nature.': [74], 'Electronic': [75], 'structures': [76], 'calculations': [77], 'show': [78], 'that': [79, 110], 'conduction': [81], 'consists': [83], 'mainly': [84], 'hybridization': [86], 'between': [87], 'halogen': [89, 104, 135], 'p': [90, 105], 'orbitals': [91], 'Sn': [93], '5s': [94], 'orbitals,': [95], 'whereas': [96], 'valence': [98], 'is': [100], 'composed': [101], 'orbitals.': [106], 'Optic': [107], 'indicate': [109], 'these': [111], 'three': [112], 'compounds': [113], 'exhibit': [114], 'good': [115, 141], 'absorption': [117, 124], 'ultraviolet': [120], 'region,': [121], 'spectra': [125], 'red': [126], 'shift': [127], 'increase': [130], 'number': [133], 'atoms.': [136], 'candidates': [142], 'probing': [144], 'lead-free': [146], 'high': [148], 'power': [149], 'conversion': [150], 'efficiency': [151], 'solar': [153], 'cells.': [154]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2750807923', 'counts_by_year': [{'year': 2024, 'cited_by_count': 17}, {'year': 2023, 'cited_by_count': 13}, {'year': 2022, 'cited_by_count': 14}, {'year': 2021, 'cited_by_count': 11}, {'year': 2020, 'cited_by_count': 5}, {'year': 2019, 'cited_by_count': 5}, {'year': 2018, 'cited_by_count': 1}], 'updated_date': '2024-12-22T11:34:12.642140', 'created_date': '2017-09-15'}