Gapless band structure of PbPdO2: A combined first principles calculation and experimental study

First-principles calculation and Boltzmann transport theory have been combined to comparatively investigate the band structures, phonon spectra, and thermoelectric properties of both β-BiSb and β-BiAs monolayers.

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Inclusion behavior of Cs, Sr, and Ba impurities in LiCl crystal formed by layer-melt crystallization: Combined first-principles calculation and experimental study

Journal of Crystal Growth ◽

10.1016/j.jcrysgro.2013.02.013 ◽

2013 ◽

Vol 371 ◽

pp. 84-89 ◽

Cited By ~ 11

Author(s):

Jung-Hoon Choi ◽

Yung-Zun Cho ◽

Tae-Kyo Lee ◽

Hee-Chul Eun ◽

Jun-Hong Kim ◽

...

Keyword(s):

Experimental Study ◽

First Principles ◽

First Principles Calculation ◽

Melt Crystallization

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First-principles calculation of the AlAs/GaAs interface band structure using a self-energy–corrected local density approximation

EPL (Europhysics Letters) ◽

10.1209/0295-5075/94/27001 ◽

2011 ◽

Vol 94 (2) ◽

pp. 27001 ◽

Cited By ~ 23

Author(s):

M. Ribeiro ◽

L. R. C. Fonseca ◽

L. G. Ferreira

Keyword(s):

Band Structure ◽

First Principles ◽

Local Density Approximation ◽

Local Density ◽

First Principles Calculation ◽

Density Approximation ◽

Self Energy

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First-Principles Calculation of Diamagnetic Band Structure

Physical Review Letters ◽

10.1103/physrevlett.45.276 ◽

1980 ◽

Vol 45 (4) ◽

pp. 276-279 ◽

Cited By ~ 46

Author(s):

H. J. Schellnhuber ◽

G. M. Obermair

Keyword(s):

Band Structure ◽

First Principles ◽

First Principles Calculation

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Comparing the hot corrosion of (100), (210) and (110) Ni-based superalloys exposed to the mixed salt of Na2SO4-NaCl at 750 °C: Experimental study and first-principles calculation

Corrosion Science ◽

10.1016/j.corsci.2021.109996 ◽

2021 ◽

pp. 109996

Author(s):

Boxin Wei ◽

Chunjin Chen ◽

Jin Xu ◽

Lanlan Yang ◽

Yixuan Jia ◽

...

Keyword(s):

Experimental Study ◽

First Principles ◽

Hot Corrosion ◽

First Principles Calculation ◽

Mixed Salt

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First Principles Calculation of Band Structure and Physical Properties of Ferroelectric (NH4)2BeF4 Crystal

2021 IEEE 12th International Conference on Electronics and Information Technologies (ELIT) ◽

10.1109/elit53502.2021.9501145 ◽

2021 ◽

Author(s):

Myron Rudysh ◽

Bohdan Horon ◽

Pavlo Shchepanskyi ◽

Vasyl Stadnyk ◽

Ruslan Brezvin

Keyword(s):

Band Structure ◽

Physical Properties ◽

First Principles ◽

First Principles Calculation

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First-principles calculation of the band structure, electronic states, and optical properties of Cr-doped ZnS double-wall nanotubes

Computational Materials Science ◽

10.1016/j.commatsci.2015.01.011 ◽

2015 ◽

Vol 101 ◽

pp. 1-7 ◽

Cited By ~ 16

Author(s):

Yuhong Huang ◽

Zongquan Zhang ◽

Fei Ma ◽

Paul K. Chu ◽

Cuiping Dong ◽

...

Keyword(s):

Optical Properties ◽

Band Structure ◽

First Principles ◽

Electronic States ◽

First Principles Calculation ◽

Double Wall

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Electronic and Magnetic Properties of Highly Disordered Fe-based Frank Kasper-Phases in View of First Principles Calculation and Experimental Study

Alloys and Intermetallic Compounds ◽

10.1201/9781315151618-7 ◽

2017 ◽

pp. 196-227

Author(s):

J. Cieslak ◽

J. Tobola

Keyword(s):

Experimental Study ◽

Magnetic Properties ◽

First Principles ◽

First Principles Calculation ◽

Electronic And Magnetic Properties

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