Transport properties of binary phosphide AgP2 denoting high Hall mobility and low lattice thermal conductivity
This study found that polycrystalline AgP _2 shows intrinsic semiconducting electrical conductivity with Hall mobility of 51 cm ^2 V ^−1 s ^−1 , which is as high as that of Mg _2 Si, and lattice thermal conductivity of 1.2 W K ^−1 m ^−1 , which is as low as that of Bi _2 Te _3 . First-principles cal...
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| Format: | Article |
| Language: | English |
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IOP Publishing
2022-01-01
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| Series: | Materials Research Express |
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| Online Access: | https://doi.org/10.1088/2053-1591/ac6ccc |
| _version_ | 1797746428694495232 |
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| author | Masanobu Miyata Mikio Koyano |
| author_facet | Masanobu Miyata Mikio Koyano |
| author_sort | Masanobu Miyata |
| collection | DOAJ |
| description | This study found that polycrystalline AgP _2 shows intrinsic semiconducting electrical conductivity with Hall mobility of 51 cm ^2 V ^−1 s ^−1 , which is as high as that of Mg _2 Si, and lattice thermal conductivity of 1.2 W K ^−1 m ^−1 , which is as low as that of Bi _2 Te _3 . First-principles calculations theoretically indicate AgP _2 as an intrinsic semiconductor, and indicate the estimated carrier relaxation time τ as 3.3 fs, which is long for a polycrystalline material. Moreover, the effective mass of hole m * is approximately 0.11 times that of free electrons. These results indicate that long τ and light m * of the carrier are the origins of the high experimentally obtained Hall mobility. Phonon calculations indicate that the Ag atoms in AgP _2 exhibit highly anharmonic phonon modes with mode Grüneisen parameters of more than 2 in the 50–100 cm ^−1 low-frequency range. The large anharmonic vibrations of the Ag atoms reduce the phonon mean free path. Moreover, the lattice thermal conductivity was found, experimentally and theoretically, to be as low as approx. 1.2 W K ^−1 m ^−1 at room temperature by phonon–phonon and grain-boundary scattering. |
| first_indexed | 2024-03-12T15:37:41Z |
| format | Article |
| id | doaj.art-c560a9c199d044be896db6a60a11f518 |
| institution | Directory Open Access Journal |
| issn | 2053-1591 |
| language | English |
| last_indexed | 2024-03-12T15:37:41Z |
| publishDate | 2022-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | Materials Research Express |
| spelling | doaj.art-c560a9c199d044be896db6a60a11f5182023-08-09T16:10:34ZengIOP PublishingMaterials Research Express2053-15912022-01-019505590110.1088/2053-1591/ac6cccTransport properties of binary phosphide AgP2 denoting high Hall mobility and low lattice thermal conductivityMasanobu Miyata0https://orcid.org/0000-0002-1290-0984Mikio Koyano1School of Materials Science, Japan Advanced Institute of Science and Technology , 1-1 Ishikawa, 923-1292, Nomi, JapanSchool of Materials Science, Japan Advanced Institute of Science and Technology , 1-1 Ishikawa, 923-1292, Nomi, JapanThis study found that polycrystalline AgP _2 shows intrinsic semiconducting electrical conductivity with Hall mobility of 51 cm ^2 V ^−1 s ^−1 , which is as high as that of Mg _2 Si, and lattice thermal conductivity of 1.2 W K ^−1 m ^−1 , which is as low as that of Bi _2 Te _3 . First-principles calculations theoretically indicate AgP _2 as an intrinsic semiconductor, and indicate the estimated carrier relaxation time τ as 3.3 fs, which is long for a polycrystalline material. Moreover, the effective mass of hole m * is approximately 0.11 times that of free electrons. These results indicate that long τ and light m * of the carrier are the origins of the high experimentally obtained Hall mobility. Phonon calculations indicate that the Ag atoms in AgP _2 exhibit highly anharmonic phonon modes with mode Grüneisen parameters of more than 2 in the 50–100 cm ^−1 low-frequency range. The large anharmonic vibrations of the Ag atoms reduce the phonon mean free path. Moreover, the lattice thermal conductivity was found, experimentally and theoretically, to be as low as approx. 1.2 W K ^−1 m ^−1 at room temperature by phonon–phonon and grain-boundary scattering.https://doi.org/10.1088/2053-1591/ac6cccthermoelectricphosphidephonon transport propertiesanharmonicityelectron transport properties |
| spellingShingle | Masanobu Miyata Mikio Koyano Transport properties of binary phosphide AgP2 denoting high Hall mobility and low lattice thermal conductivity Materials Research Express thermoelectric phosphide phonon transport properties anharmonicity electron transport properties |
| title | Transport properties of binary phosphide AgP2 denoting high Hall mobility and low lattice thermal conductivity |
| title_full | Transport properties of binary phosphide AgP2 denoting high Hall mobility and low lattice thermal conductivity |
| title_fullStr | Transport properties of binary phosphide AgP2 denoting high Hall mobility and low lattice thermal conductivity |
| title_full_unstemmed | Transport properties of binary phosphide AgP2 denoting high Hall mobility and low lattice thermal conductivity |
| title_short | Transport properties of binary phosphide AgP2 denoting high Hall mobility and low lattice thermal conductivity |
| title_sort | transport properties of binary phosphide agp2 denoting high hall mobility and low lattice thermal conductivity |
| topic | thermoelectric phosphide phonon transport properties anharmonicity electron transport properties |
| url | https://doi.org/10.1088/2053-1591/ac6ccc |
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