# Nonequilibrium Layered PbS Stabilized by Sn Doping: Bipolar Semiconductors with Low Thermal Conductivity https://mdr.nims.go.jp/datasets/279faa71-43bf-4440-8e00-58cbbc1ab980 ## File - [maintext-revision.docx](https://mdr.nims.go.jp/filesets/94c67921-8048-4a8f-b613-a06bcede7fe9/download) ([Detail](https://mdr.nims.go.jp/filesets/94c67921-8048-4a8f-b613-a06bcede7fe9.md)) ## Id 279faa71-43bf-4440-8e00-58cbbc1ab980 ## Local identifier ## Visibility open_to_public ## State published ## Created at 2024-12-06T01:37:05.901869Z ## Updated at 2025-11-07T23:30:28.616456Z ## Published at 2025-11-07T23:21:13.867163Z ## Doi https://doi.org/10.48505/nims.5111 ## First published url https://doi.org/10.1021/acsaelm.4c01572 ## Date published 2024-11-26 ## Recorded date published 2024-11-26 ## Resource type journal_article ## Manuscript type accepted_manuscript ## Collection ## Title - title: 'Nonequilibrium Layered PbS Stabilized by Sn Doping: Bipolar Semiconductors with Low Thermal Conductivity' title_type: original lang: en ## Description - description: 'Layered Sn- and Ge-based monochalcogenides have been known as promising semiconductor materials with appropriately narrow band gaps, close to those of Si and GaAs. On the other hand, Pb-based ones possess much narrower band gaps and adopt the cubic rock-salt (RS) type structure under ambient conditions, and their layered structures are considered to be thermodynamically unstable. Here, we have successfully stabilized the GeS-type layered structure in lightly Sn-doped PbS by combination of high-temperature solid-state reaction with thermal quenching. It is experimentally confirmed that an equilibrium phase of the layered GeS-type Sn-rich (Pb1-xSnx)S with x > 0.6 is a p-type semiconductor. However, we have clarified that the stabilized nonequilibrium layered phase with 0.2 ≤ x ≤ 0.5 is a n-type semiconductor with band gap of 1.18–1.22 eV. Furthermore, the layered nonequilibrium phase exhibits an ultra-low room-temperature thermal conductivity of 0.40–0.65 W/(mK), much lower than those of both end members; i.e., the GeS-type SnS (x = 1) and the RS-type PbS (x = 0). Based on the first-principles electron and phonon transport calculations, the layered n-type (Pb0.75Sn0.25)S potentially shows a high thermoelectric figure-of-merit of 0.34 even at 300 K under an optimized electron concentration. The controllability of ambipolar carrier polarity in the layered (Pb1-xSnx)S alongside the low thermal conductivity is an advantageous characteristic for applications based on p-n homojunctions such as photovoltaics and thermoelectrics. ' description_type: abstract lang: und ## Creator - name: Mari Hiramatsu role: author - name: Zhongxu Hu role: author - name: Sakura Yoshikawa role: author - name: Zan Yang role: author - name: Xinyi He role: author - name: Takayoshi Katase role: author - name: Jun-ichi Yamaura role: author - name: Hajime Sagayama role: author - name: Terumasa Tadano role: author orcid: https://orcid.org/0000-0002-8132-2161 organization: National Institute for Materials Science ror: https://ror.org/026v1ze26 - name: Shigenori Ueda role: author orcid: https://orcid.org/0000-0001-9425-0614 organization: National Institute for Materials Science ror: https://ror.org/026v1ze26 - name: Hidenori Hiramatsu role: author - name: Hideo Hosono role: author orcid: https://orcid.org/0000-0001-9260-6728 organization: National Institute for Materials Science ror: https://ror.org/026v1ze26 - name: Toshio Kamiya role: author ## Contact agent ## Publisher organization: American Chemical Society (ACS) ## Managing organization ## Keyword - subject: Thermal conductivity schema: not_defined - subject: chalcogenide schema: not_defined - subject: nonequilibrium synthesis schema: not_defined - subject: carrier doping schema: not_defined - subject: carrier transport property schema: not_defined - subject: thermoelectric property schema: not_defined ## Rights - description: 'This document is the Accepted Manuscript version of a Published Work that appeared in final form in Nonequilibrium Layered PbS Stabilized by Sn Doping: Bipolar Semiconductors with Low Thermal Conductivity, copyright © 2024 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see  https://doi.org/10.1021/acsaelm.4c01572' identifier: http://rightsstatements.org/vocab/InC/1.0/ ## Other identifier(s) ## Data origin - data_origin_type: other ## Embargo start_date: 2024-11-08 end_date: 2025-11-08 ## Journal - title: ACS Applied Electronic Materials issn: '26376113' volume: '6' issue: '11' start_page: 8339 end_page: 8350 ## Conference ## Related item ## Funding - identifier: JPMXP1122683430 funder_name: Ministry of Education, Culture, Sports, Science and Technology - identifier: 24H00376 funder_name: Japan Society for the Promotion of Science - identifier: JP20H00302 funder_name: Japan Society for the Promotion of Science - identifier: JP21H04612 funder_name: Japan Society for the Promotion of Science - identifier: JP22H01766 funder_name: Japan Society for the Promotion of Science - identifier: JP24K21671 funder_name: Japan Society for the Promotion of Science - identifier: JP22H04964 funder_name: Japan Society for the Promotion of Science ## Instrument ## Instrument operator ## Instrument managing organization ## Measurement method ## Specimen ## Chemical composition ## Structure for specimen ## Structural feature for specimen ## Specific property for specimen ## Process for specimen treatment ## Computational method ## Energy level/transition state ## Software ## Custom property ## Fileset - id: 94c67921-8048-4a8f-b613-a06bcede7fe9 filename: maintext-revision.docx content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document size: 2015172 md5: 60ecb8dbc859781535680834a24cff24 ## Thumbnail fileset_id: 94c67921-8048-4a8f-b613-a06bcede7fe9 filename: maintext-revision.docx