期刊
PHYSICAL REVIEW B
卷 96, 期 7, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.96.075118
关键词
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资金
- CNPq [307487/2014-8]
- UK Research Council [EP/M50631X/1]
- DFG [SPP 1415]
- EPSRC [EP/L000202]
- Office of Science and Technology through EPSRC's High End Computing Programme
We investigate anisotropic electronic structure and thermal transport properties of bulk black phosphorus (BP). Using density functional dynamical mean-field theory we first derive a correlation-induced electronic reconstruction, showing band-selective Kondoesque physics in this elemental p-band material. The resulting correlated picture is expected to shed light onto the temperature and doping dependent evolution of resistivity, Seebeck coefficient, and thermal conductivity, as seen in experiments on bulk single crystal BP. Therein, large anisotropic particle-hole excitations are key to consistently understand thermoelectric transport responses of pure and doped BP.
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