2D metal slabs in new nickel–tin chalcogenides Ni7−δSnQ2 (QSe, Te): average crystal and electronic structures, chemical bonding and physical properties

2004 ◽  
Vol 177 (10) ◽  
pp. 3616-3625 ◽  
Author(s):  
A.I. Baranov ◽  
A.A. Isaeva ◽  
L. Kloo ◽  
V.A. Kulbachinskii ◽  
R.A. Lunin ◽  
...  
Keyword(s):  
Physical Properties ◽  
Chemical Bonding ◽  
Electronic Structures ◽  
Tin Chalcogenides

scholarly journals Bonding diversity in rock salt-type tellurides: examining the interdependence between chemical bonding and materials properties

RSC Advances ◽  
2021 ◽  
Vol 11 (34) ◽  
pp. 20679-20686
Author(s):  
Jasmin Simons ◽  
Jan Hempelmann ◽  
Kai S. Fries ◽  
Peter C. Müller ◽  
Richard Dronskowski ◽  
...  
Keyword(s):  
Solid State ◽  
Physical Properties ◽  
Rock Salt ◽  
Chemical Bonding ◽  
Electronic Structures ◽  
Proper Understanding ◽  
Materials Properties ◽  
Solid State Materials ◽  
Future Technologies

Future technologies are in need of solid-state materials showing the desired chemical and physical properties, and designing such materials requires a proper understanding of their electronic structures.

The tuning effect of the electric field on the physical properties of some typical wurtzite semiconductors

2017 ◽  
Vol 31 (33) ◽  
pp. 1750310 ◽  
Author(s):  
Jia-Ning Li ◽  
San-Lue Hu ◽  
Hao-Yu Dong ◽  
Xiao-Ying Xu ◽  
Jia-Fu Wang ◽  
...  
Keyword(s):  
Electric Field ◽  
Physical Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Density Functional ◽  
Great Influence ◽  
Semiconductor Materials ◽  
Functional Theory ◽  
The Stability ◽  
Wurtzite Semiconductors

Under the tuning of an external electric field, the variation of the geometric structures and the band gaps of the wurtzite semiconductors ZnS, ZnO, BeO, AlN, SiC and GaN have been investigated by the first-principles method based on density functional theory. The stability, density of states, band structures and the charge distribution have been analyzed under the electric field along (001) and (00[Formula: see text]) directions. Furthermore, the corresponding results have been compared without the electric field. According to our calculation, we find that the magnitude and the direction of the electric field have a great influence on the electronic structures of the wurtzite materials we mentioned above, which induce a phase transition from semiconductor to metal under a certain electric field. Therefore, we can regulate their physical properties of this type of semiconductor materials by tuning the magnitude and the direction of the electric field.

The binary gallide Eu5Ga9 – crystal structure, chemical bonding and physical properties

2003 ◽  
Vol 176 (2) ◽  
pp. 567-574 ◽  
Author(s):  
Yuri Grin ◽  
Walter Schnelle ◽  
Raul Cardoso Gil ◽  
Olga Sichevich ◽  
Ralf Müllmann ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Physical Properties ◽  
Chemical Bonding

Influence of Structural Transition on the Electronic Structures and Physical Properties of Ni2MnGa Alloy Films

2004 ◽  
Vol 44 (3) ◽  
pp. 712 ◽  
Author(s):  
Kim K. W. ◽  
Kudryavtsev Y. V. ◽  
Rhee J. Y. ◽  
Lee N. N. ◽  
Lee Y. P.
Keyword(s):  
Physical Properties ◽  
Electronic Structures ◽  
Structural Transition ◽  
Alloy Films

Crystal structure, chemical bonding, and physical properties of layered AIrSn2 (A = Sr and Ba)

2019 ◽  
Vol 54 (16) ◽  
pp. 11127-11133
Author(s):  
Madalynn Marshall ◽  
Lingyi Xing ◽  
Zuzanna Sobczak ◽  
Joanna Blawat ◽  
Tomasz Klimczuk ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Physical Properties ◽  
Chemical Bonding

Syntheses, structures, selected physical properties and band electronic structures of the bis(ethylenediseleno)tetrathiafulvalene salts, (BEDSe-TTF)2X, X- = I3-, AuI2-, and IBr2-

1989 ◽  
Vol 1 (1) ◽  
pp. 140-148 ◽  
Author(s):  
Hau H. Wang ◽  
Lawrence K. Montgomery ◽  
Urs Geiser ◽  
Leigh C. Porter ◽  
K. Douglas Carlson ◽  
...  
Keyword(s):  
Physical Properties ◽  
Electronic Structures
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