Valance Band Maximum and Thermoelectric Properties of Bi\(_2\)O\(_2\)Se: First-Principles Calculations
Abstract
Keywords
Full Text:
PDFReferences
J. Wu, H. Yuan, M. Meng, C. Chen, Y. Sun, Z. Chen, W. Dang, C. Tan, Y. Liu, J. Yin, Y. Zhou, S. Huang, H.Q. Xu, Y. Cui, H.Y. Hwang, Z. Liu, Y. Chen, B. Yan, H. Peng, Nat. Nanotechnol. 12 (2017) 530.
T. Quang, H. Lim, M. Kim, J. Korean Phys. Soc. 61 (2012) 1728.
S. V. Eremeev, Y.M. Koroteev, E. V. Chulkov, Phys. Rev. B 100 (2019) 115417.
J. Liu, L. Tian, Y. Mou, W. Jia, L. Zhang, R. Liu, J. Alloys Compd. 764 (2018) 674.
J.H. Song, H. Jin, A.J. Freeman, Phys. Rev. Lett. 105 (2010) 096403.
T. Van Quang, M. Kim, J. Appl. Phys. 120 (2016) 195105.
H. Fu, J. Wu, H. Peng, B. Yan, Phys. Rev. B 97 (2018) 1.
T. Van Quang, K. Miyoung, J. Korean Phys. Soc. 74 (2019) 256.
T. Van Quang, M. Kim, J. Appl. Phys. 113 (2013) 17A934.
T. Van Quang, M. Kim, IEEE Trans. Magn. 50 (2014) 1000904.
P. Ruleova, T. Plechacek, J. Kasparova, M. Vlcek, L. Benes, P. Lostak, C. Drasar, J. Electron. Mater. 47 (2018)
P. Ruleova, C. Drasar, P. Lostak, C.P. Li, S. Ballikaya, C. Uher, Mater. Chem. Phys. 119 (2010) 299.
G.J. Snyder, E.S. Toberer, Nat. Mater. 7 (2008) 105–114.
D. Guo, C. Hu, Y. Xi, K. Zhang, J. Phys. Chem. C 117 (2013) 21597.
L. Pan, L. Zhao, X. Zhang, C. Chen, P. Yao, C. Jiang, X. Shen, Y. Lyu, C. Lu, L.D. Zhao, Y. Wang, ACS Appl.
Mater. Interfaces 11 (2019) 21603.
M. Liangruksa, Mater. Res. Express 4 (2017) 035703.
X. Zhang, L.-D. Zhao, J. Mater. 1 (2015) 92.
K. Biswas, J. He, I.D. Blum, C.-I. Wu, T.P. Hogan, D.N. Seidman, V.P. Dravid, M.G. Kanatzidis, Nature 489
(2012) 414.
Y. Pei, H. Wang, G.J. Snyder, Adv. Mater. 24 (2012) 6125.
G.D. Mahan, J.O. Sofo, Proc. Natl. Acad. Sci. 93 (1996) 7436.
T. Van Quang, Commun. Phys. 28 (2018) 169.
T. Cheng, C. Tan, S. Zhang, T. Tu, H. Peng, Z. Liu, J. Phys. Chem. C 122 (2018) 19970.
Q.D. Gibson, M.S. Dyer, G.F.S. Whitehead, J. Alaria, M.J. Pitcher, H.J. Edwards, J.B. Claridge, M. Zanella, K.
Dawson, T.D. Manning, V.R. Dhanak, M.J. Rosseinsky, J. Am. Chem. Soc. 139 (2017) 15568.
W. Ku, T. Berlijn, C.C. Lee, Phys. Rev. Lett. 104 (2010) 216401.
T. Van Quang, M. Kim, J. Appl. Phys. 122 (2017) 245104.
P. Hohenberg, W. Kohn, Phys. Rev. 136 (1964) B864.
W. Kohn, L.J. Sham, Phys. Rev. 140 (1965) A1134–A1138.
J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865.
P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G.L. Chiarotti, M. Cococ- cioni, I. Dabo, A.D. Corso, S. Fabris, G. Fratesi, S. de Gironcoli, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A.P. Seitsonen, A. Smogunov, P. Umari, R.M. Wentzcovitch, S. De Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, A. Smogunov, P. Umari, J. Phys. Condens. Matter 21 (2009) 395502.
P. Giannozzi, O. Andreussi, T. Brumme, O. Bunau, M. Buongiorno Nardelli, M. Calandra, R. Car, C. Cavaz- zoni, D. Ceresoli, M. Cococcioni, N. Colonna, I. Carnimeo, A. Dal Corso, S. De Gironcoli, P. Delugas, R.A. Distasio, A. Ferretti, A. Floris, G. Fratesi, G. Fugallo, R. Gebauer, U. Gerstmann, F. Giustino, T. Gorni, J. Jia, M. Kawamura, H.Y. Ko, A. Kokalj, E. Ku ̈cu ̈kbenli, M. Lazzeri, M. Marsili, N. Marzari, F. Mauri, N.L. Nguyen, H. V. Nguyen, A. Otero-De-La-Roza, L. Paulatto, S. Ponce ́, D. Rocca, R. Sabatini, B. Santra, M. Schlipf, A.P. Seitsonen, A. Smogunov, I. Timrov, T. Thonhauser, P. Umari, N. Vast, X. Wu, S. Baroni, J. Phys. Condens. Matter 29 (2017) 465901.
H. Monkhorst, J. Pack, Phys. Rev. B 13 (1976) 5188.
J.D. Pack, H.J. Monkhorst, Phys. Rev. B 16 (1977) 1748.
G.K.H. Madsen, J. Carrete, M.J. Verstraete, Comput. Phys. Commun. 231 (2018) 140–145.
G.K.H. Madsen, D.J. Singh, Comput. Phys. Commun. 175 (2006) 67.
A. Kokalj, J. Mol. Graph. Model. 17 (1999) 176.
C. Chen, M. Wang, J. Wu, H. Fu, H. Yang, Z. Tian, T. Tu, H. Peng, Y. Sun, X. Xu, J. Jiang, N.B.M. Schro ̈ter,
Y. Li, D. Pei, S. Liu, S.A. Ekahana, H. Yuan, J. Xue, G. Li, J. Jia, Z. Liu, B. Yan, H. Peng, Y. Chen, Sci. Adv. 4
(2018) 1.
A. Seidl, A. Go ̈rling, P. Vogl, J. Majewski, M. Levy, Phys. Rev. B 53 (1996) 3764.
L. Pan, W. Di Liu, J.Y. Zhang, X.L. Shi, H. Gao, Q. feng Liu, X. Shen, C. Lu, Y.F. Wang, Z.G. Chen, Nano
Energy 69 (2020) 104394.
N. Wang, M. Li, H. Xiao, H. Gong, Z. Liu, X. Zu, L. Qiao, Phys. Chem. Chem. Phys. 21 (2019) 15097.
D. Guo, C. Hu, Y. Xi, K. Zhang, J. Phys. Chem. C 117 (2013) 21597–21602.
T. Van Quang, K. Miyoung, J. Korean Phys. Soc. 68 (2016) 393–397.
M.S. Park, J.H. Song, J.E. Medvedeva, M. Kim, I.G. Kim, A.J. Freeman, Phys. Rev. B 81 (2010) 155211.
A. L. J. Pereira, D. Santamar ́ıa-Pe ́rez, J. Ruiz-Fuertes, F.J. Manjo ́n, V.P. Cuenca-Gotor, R. Vilaplana, O. Gomis,
C. Popescu, A. Munoz, P. Rodr ́ıguez-Herna ́ndez, A. Segura, L. Gracia, A. Beltra ́n, P. Ruleova, C. Drasar, J.A. Sans, J. Phys. Chem. C 122 (2018) 8853.
DOI: https://doi.org/10.15625/0868-3166/30/3/14958 Display counter: Abstract : 181 views. PDF : 58 views.
Refbacks
- There are currently no refbacks.
Editorial Office: Communications in Physics 1st Floor, A16 Building, 18B Hoang Quoc Viet Street, Cau Giay District, Hanoi, Vietnam Tel: (+84) 024 3791 7102 Email: cip@vjs.ac.vn | Copyright by |