scholarly journals Raman Spectrum of the Organic–Inorganic Halide Perovskite CH3NH3PbI3 from First Principles and High-Resolution Low-Temperature Raman Measurements

2018 ◽  
Vol 122 (38) ◽  
pp. 21703-21717 ◽  
Author(s):  
Miguel A. Pérez-Osorio ◽  
Qianqian Lin ◽  
Richard T. Phillips ◽  
Rebecca L. Milot ◽  
Laura M. Herz ◽  
...  
Keyword(s):  
Raman Spectrum ◽  
High Resolution ◽  
Low Temperature ◽  
First Principles ◽  
Halide Perovskite

Intrinsic doping limit and defect-assisted luminescence in Cs4PbBr6

2019 ◽  
Author(s):  
Young-Kwang Jung ◽  
Joaquin Calbo ◽  
Ji-Sang Park ◽  
Lucy D. Wahlley ◽  
Sunghyun Kim ◽  
...  
Keyword(s):  
First Principles ◽  
Room Temperature ◽  
Stokes Shift ◽  
Green Luminescence ◽  
Counter Ions ◽  
Self Consistent ◽  
Deep Ultraviolet ◽  
Halide Perovskite ◽  
Related Compounds ◽  
Level Analysis

Cs<sub>4</sub>PbBr<sub>6 </sub>is a member of the halide perovskite family that is built from isolated (zero-dimensional) PbBr<sub>6</sub><sup>4-</sup> octahedra with Cs<sup>+</sup> counter ions. The material exhibits anomalous optoelectronic properties: optical absorption and weak emission in the deep ultraviolet (310 - 375 nm) with efficient luminescence in the green region (~ 540 nm). Several hypotheses have been proposed to explain the giant Stokes shift including: (i) phase impurities; (ii) self-trapped exciton; (iii) defect emission. We explore, using first-principles theory and self-consistent Fermi level analysis, the unusual defect chemistry and physics of Cs<sub>4</sub>PbBr<sub>6</sub>. We find a heavily compensated system where the room-temperature carrier concentrations (< 10<sup>9</sup> cm<sup>-3</sup>) are more than one million times lower than the defect concentrations. We show that the low-energy Br-on-Cs antisite results in the formation of a polybromide (Br<sub>3</sub>) species that can exist in a range of charge states. We further demonstrate from excited-state calculations that tribromide moieties are photoresponsive and can contribute to the observed green luminescence. Photoactivity of polyhalide molecules is expected to be present in other halide perovskite-related compounds where they can influence light absorption and emission. <br>

Intrinsic doping limit and defect-assisted luminescence in Cs4PbBr6

2019 ◽  
Author(s):  
Young-Kwang Jung ◽  
Joaquin Calbo ◽  
Ji-Sang Park ◽  
Lucy D. Wahlley ◽  
Sunghyun Kim ◽  
...  
Keyword(s):  
First Principles ◽  
Room Temperature ◽  
Stokes Shift ◽  
Green Luminescence ◽  
Counter Ions ◽  
Self Consistent ◽  
Deep Ultraviolet ◽  
Halide Perovskite ◽  
Related Compounds ◽  
Level Analysis

Cs<sub>4</sub>PbBr<sub>6 </sub>is a member of the halide perovskite family that is built from isolated (zero-dimensional) PbBr<sub>6</sub><sup>4-</sup> octahedra with Cs<sup>+</sup> counter ions. The material exhibits anomalous optoelectronic properties: optical absorption and weak emission in the deep ultraviolet (310 - 375 nm) with efficient luminescence in the green region (~ 540 nm). Several hypotheses have been proposed to explain the giant Stokes shift including: (i) phase impurities; (ii) self-trapped exciton; (iii) defect emission. We explore, using first-principles theory and self-consistent Fermi level analysis, the unusual defect chemistry and physics of Cs<sub>4</sub>PbBr<sub>6</sub>. We find a heavily compensated system where the room-temperature carrier concentrations (< 10<sup>9</sup> cm<sup>-3</sup>) are more than one million times lower than the defect concentrations. We show that the low-energy Br-on-Cs antisite results in the formation of a polybromide (Br<sub>3</sub>) species that can exist in a range of charge states. We further demonstrate from excited-state calculations that tribromide moieties are photoresponsive and can contribute to the observed green luminescence. Photoactivity of polyhalide molecules is expected to be present in other halide perovskite-related compounds where they can influence light absorption and emission. <br>

Transition Insulator-Metal and Antiferromagnetic-Paramagnetic Cu Doped in La0.47Ca0.53MnO3

2015 ◽  
Vol 1123 ◽  
pp. 73-77 ◽  
Author(s):  
Yohanes Edi Gunanto ◽  
K. Sinaga ◽  
B. Kurniawan ◽  
S. Poertadji ◽  
H. Tanaka ◽  
...  
Keyword(s):  
High Resolution ◽  
Low Temperature ◽  
Magnetic Structure ◽  
Room Temperature ◽  
Paramagnetic Phase ◽  
Perovskite Manganites ◽  
Antiferromagnetic Phase ◽  
Temperature Transition ◽  
Cu Doping ◽  
Metal State

The study of the perovskite manganites La0.47Ca0.53Mn1-xCuxO3 with x = 0, 0.06, 0.09, and 0.13 has been done. The magnetic structure was determined using high-resolution neutron scattering at room temperature and low temperature. All samples were paramagnetic at room temperature and antiferromagnetic at low temperature. Using the SQUID Quantum Design, the samples showed that the doping of the insulating antiferromagnetic phase La0.47Ca0.53MnO3 with Cu doping resulted in the temperature transition from an insulator to metal state, and an antiferromagnetic to paramagnetic phase. The temperature transition from an insulator to metal state ranged from 23 to 100 K and from 200 to 230 K for the transition from an antiferromagnetic to paramagnetic phase.

Formation and Structure of Thin Mo Layers and Mo-Ni Multilayers on Ni(001) by Molecular Beam Epitaxy

1989 ◽  
Vol 160 ◽  
Author(s):  
Y.H. Lee ◽  
R.P. Burns ◽  
J.B. Posthill ◽  
K.J. Bachmann
Keyword(s):  
Thin Films ◽  
High Temperature ◽  
High Resolution ◽  
Molecular Beam Epitaxy ◽  
Low Temperature ◽  
Molecular Beam ◽  
Nucleation And Growth ◽  
Multilayer Heterostructures ◽  
Annealing Experiments ◽  
Small Period

AbstractThe growth of Mo overtayers and Mo-Ni multilayers on single crystal Ni(001) substrates is described. The nucleation and growth processes of these thin films were analyzed by LEED, XPS, AES and SEM and High Resolution AES investigations without breaking vacuum. Growth of Mo-Ni multilayer heterostructures on Ni(001) with ≈20Å periodicity is possible at low temperature (≈200 °C). At high temperature (≈550 °C) the growth proceeds by the Volmer-Weber mechanism preventing the deposition of small period multilayers. Annealing experiments on ultra-thin (<20Å) Mo overiayers deposited at 200 °C show an onset of interdiffusion at ≈ 550°C coupled to the generation of a new surface periodicity.

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