Interplay of spin–orbit coupling and lattice distortion in metal substituted 3D tri-chloride hybrid perovskites

Journal of Materials Chemistry A - Tập 3 Số 17 - Trang 9232-9240
Claudine Katan1,2,3,4,5, Laurent Pédesseau6,7,8,9, Mikaël Képénékian1,2,3,4,5, Alain Rolland6,7,8,9, Jacky Even6,7,8,9
135042 Rennes
2CNRS – Université de Rennes 1
3France
4Institut des Sciences Chimiques de Rennes
5UMR6226
635708 Rennes
7FOTON - Fonctions Optiques pour les Technologies de l'informatiON (ENSSAT 6, rue de Kerampont CS 80518 22305 LANNION Cedex - France)
8FOTON UMR 6082
9INSA de Rennes

Tóm tắt

Metal and halogen substitution in hybrid perovskites reveals the interplay between spin–orbit coupling, structural distortions and many-body effects controlling band-gaps.

Từ khóa


Tài liệu tham khảo

Leijtens, 2013, Nat. Commun., 4, 2885, 10.1038/ncomms3885

Chen, 2014, Energy Environ. Sci., 7, 3659, 10.1039/C4EE00965G

Ogomi, 2014, J. Phys. Chem. Lett., 1004, 10.1021/jz5002117

Stoumpos, 2013, Inorg. Chem., 52, 9019, 10.1021/ic401215x

Papavassiliou, 1997, Prog. Solid State Chem., 25, 125, 10.1016/S0079-6786(97)80886-2

Mitzi, 2001, J. Chem. Soc., Dalton Trans., 1, 1, 10.1039/b007070j

Mercier, 2009, CrystEngComm, 11, 720, 10.1039/b817891g

Smith, 2014, Angew. Chem., Int. Ed., 53, 11232, 10.1002/anie.201406466

Mitzi, 1995, Science, 267, 1473, 10.1126/science.267.5203.1473

Kagan, 1999, Science, 286, 945, 10.1126/science.286.5441.945

Wenus, 2006, Phys. Rev. B: Condens. Matter Mater. Phys., 74, 235212, 10.1103/PhysRevB.74.235212

Koutselas, 2011, J. Phys. Chem. C, 115, 8475, 10.1021/jp111881b

Papavassiliou, 2012, Mater. Chem., 22, 8271, 10.1039/c2jm15783g

Papavassiliou, 2014, Faguang Xuebao, 14, 287

Tan, 2014, Nat. Nanotechnol., 9, 687, 10.1038/nnano.2014.149

Deschler, 2014, J. Phys. Chem. Lett., 5, 1421, 10.1021/jz5005285

Xing, 2014, Nat. Mater., 13, 476, 10.1038/nmat3911

Papavassiliou, 1994, Solid State Commun., 91, 695, 10.1016/0038-1098(94)00435-8

Knutson, 2005, Inorg. Chem., 44, 4699, 10.1021/ic050244q

Even, 2014, Proc. SPIE, 9140, 91400Y, 10.1117/12.2052375

Allen, 2002, Acta Crystallogr., Sect. B: Struct. Sci., 58, 380, 10.1107/S0108768102003890

Yamada, 2002, J. Chem. Soc., Dalton Trans., 10, 2112, 10.1039/b201611g

Yamada, 1998, Bull. Chem. Soc. Jpn., 71, 127, 10.1246/bcsj.71.127

Chi, 2005, J. Solid State Chem., 178, 1376, 10.1016/j.jssc.2004.12.037

Swainson, 2003, J. Solid State Chem., 176, 97, 10.1016/S0022-4596(03)00352-9

Baikie, 2013, J. Mater. Chem. A, 1, 5628, 10.1039/c3ta10518k

Poglitsch, 1987, J. Chem. Phys., 87, 6373, 10.1063/1.453467

Gonze, 2009, Comput. Phys. Commun., 180, 2582, 10.1016/j.cpc.2009.07.007

Hartwigsen, 1998, Phys. Rev. B: Condens. Matter Mater. Phys., 58, 3641, 10.1103/PhysRevB.58.3641

Even, 2013, J. Phys. Chem. Lett., 4, 2999, 10.1021/jz401532q

Pedesseau, 2014, Opt. Quantum Electron., 46, 1225, 10.1007/s11082-013-9823-9

Shishkin, 2006, Phys. Rev. B: Condens. Matter Mater. Phys., 74, 035101, 10.1103/PhysRevB.74.035101

Shishkin, 2007, Phys. Rev. B: Condens. Matter Mater. Phys., 75, 235102, 10.1103/PhysRevB.75.235102

R. F. W. Bader , Atoms in Molecules: A Quantum Theory, The International Series of Monographs on Chemistry, Clarendon Press, Oxford, 1990

Katan, 2003, J. Appl. Crystallogr., 36, 65, 10.1107/S0021889802018691

Kresse, 1996, Comput. Mater. Sci., 6, 15, 10.1016/0927-0256(96)00008-0

Blöchl, 1994, Phys. Rev. B: Condens. Matter Mater. Phys., 50, 17953, 10.1103/PhysRevB.50.17953

Perdew, 1996, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865

Li, 2006, Chem. Mater., 18, 3463, 10.1021/cm060714u

Umebayashi, 2003, Phys. Rev. B: Condens. Matter Mater. Phys., 67, 155405, 10.1103/PhysRevB.67.155405

Sourisseau, 2007, Chem. Mater., 19, 600, 10.1021/cm062380e

Swainson, 2005, Acta Crystallogr., Sect. B: Struct. Sci., 61, 616, 10.1107/S0108768105028879

Tamazian, 2007, Acta Crystallogr., Sect. B: Struct. Sci., 63, 190, 10.1107/S010876810605244X

Garcia-Fernandez, 2010, J. Phys. Chem. Lett., 1, 647, 10.1021/jz900399m

Amat, 2014, Nano Lett., 14, 3608, 10.1021/nl5012992

Borriello, 2008, Phys. Rev. B: Condens. Matter Mater. Phys., 77, 235214, 10.1103/PhysRevB.77.235214

Tanaka, 2003, Solid State Commun., 127, 619, 10.1016/S0038-1098(03)00566-0

Chung, 2012, J. Am. Chem. Soc., 134, 8579, 10.1021/ja301539s

Jin, 2012, Phys. Rev. B: Condens. Matter Mater. Phys., 86, 121102, 10.1103/PhysRevB.86.121102

Even, 2012, Phys. Rev. B: Condens. Matter Mater. Phys., 86, 205301, 10.1103/PhysRevB.86.205301

Even, 2014, Phys. Status Solidi RRL, 8, 31, 10.1002/pssr.201308183

Umari, 2014, Sci. Rep., 4, 4467, 10.1038/srep04467

Brivio, 2014, Phys. Rev. B: Condens. Matter Mater. Phys., 89, 155204, 10.1103/PhysRevB.89.155204

Menéndez-Proupin, 2014, Phys. Rev. B: Condens. Matter Mater. Phys., 90, 045207, 10.1103/PhysRevB.90.045207

Zhu, 2014, J. Phys. Chem. Lett., 5, 3061, 10.1021/jz501174e

Even, 2014, J. Phys. Chem. C, 118, 11566, 10.1021/jp503337a

Ishihara, 1990, Phys. Rev. B: Condens. Matter Mater. Phys., 42, 11099, 10.1103/PhysRevB.42.11099

Kim, 2014, Proc. Natl. Acad. Sci. U. S. A., 111, 6900, 10.1073/pnas.1405780111

Filip, 2014, Nat. Commun., 5, 5757, 10.1038/ncomms6757

Garcia, 2007, Faraday Discuss., 135, 217, 10.1039/B606642A

Kitazawa, 2002, J. Mater. Sci., 37, 3585, 10.1023/A:1016584519829

Chiarella, 2008, Phys. Rev. B: Condens. Matter Mater. Phys., 77, 045129, 10.1103/PhysRevB.77.045129