Electronic Structures of Several Intermetallic Semiconductors for Expected Thermoelectric Applications: Alkaline-earth metal Pnictides, Iron group element Gallides and Indiumides, and Ir3Si5

2006 ◽  
Author(s):  
Y. Imai ◽  
A. Watanabe ◽  
T. Tsuchiya ◽  
T. Kumagai
Keyword(s):  
Electronic Structures ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Group Element ◽  
Alkaline Earth Metal ◽  
Iron Group

scholarly journals An Examination of the Electron Densities in a Series of Tripodal Cobalt Complexes Bridged by Magnesium, Calcium, Strontium and Barium

2018 ◽  
Author(s):  
John Bacsa ◽  
Fernando Cortés-Guzmán ◽  
Lillian G. G. Ramírez-Palma ◽  
Christian Wallen ◽  
Christopher Scarborough
Keyword(s):  
Metal Ions ◽  
Electronic Structures ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Ionic Radii ◽  
X Ray ◽  
Alkaline Earth Metal Ions ◽  
Local Properties ◽  
Insight Into

X-ray crystallographic and theoretical charge density data for a series of compounds [(Co(Ts3tren))M(Co(Ts3tren))] (M = Mg, Ca, Sr and Ba) is examined. The crystal structures are isostructural and the alkaline earth metal ions have the same arrangement of donor oxygen atoms despite the large variation in ionic radii. The isomorphism of these molecules is surprising and a theoretical examination of the electronic structures, with the different metal ions along the series, provides detailed insight into their stabilities. The theoretical and experimental data are consistent and agree well. The local properties of the Co(II) ion and its donor atoms are relatively independent of the alkali earth metal.

“Flat/steep band model” for superconductors containing Bi square nets

2020 ◽  
Vol 75 (1-2) ◽  
pp. 183-190
Author(s):  
Juntao Fu ◽  
Jing Xu ◽  
Jing Lin ◽  
Jürgen Köhler ◽  
Shuiquan Deng
Keyword(s):  
Rare Earth ◽  
Transition Metal ◽  
Fermi Level ◽  
Electronic Structures ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Dirac Fermion ◽  
Alkaline Earth Metal ◽  
Band Model ◽  
New Family

AbstractThe crystal structures of a new family of superconductors containing a Bi square net and their electronic structures around the Fermi level have been reviewed. The structures of these compounds can be viewed as stacked layers denoted by [Bi][(RE)(M2Bi2)(RE)] RE = rare earth or alkaline earth metal, M = transition metal. Flat/steep band features are shown to exist in all these new superconductors, though the pairing mechanisms may be very different. The Dirac Fermion behavior is reviewed and its implications are discussed.

Electronic structures and second hyperpolarizabilities of alkaline earth metal complexes end-capped with NA2 (A = H, Li, Na)

2016 ◽  
Vol 18 (18) ◽  
pp. 12505-12520 ◽  
Author(s):  
Paramita Banerjee ◽  
Prasanta K. Nandi
Keyword(s):  
Metal Complexes ◽  
Ground State ◽  
Electronic Structures ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Basis Sets ◽  
Alkaline Earth Metal ◽  
Nlo Properties ◽  
Ground State Structures

The ground state structures and NLO properties of a number of alkaline earth metal complexes end-capped with NA2 groups (A = H, Li, Na) are calculated by employing the CAM-B3LYP, wB97XD and B2PLYP functionals along with MP2 and CCSD(T) for 6-311++G(d,p), 6-311++G(3df,3pd), aug-cc-pVTZ, aug-pc-2 and Hypol basis sets.

Electronic structures of semiconducting alkaline-earth metal silicides

2003 ◽  
Vol 358 (1-2) ◽  
pp. 257-263 ◽  
Author(s):  
Yoji Imai ◽  
Akio Watanabe ◽  
Masakazu Mukaida
Keyword(s):  
Electronic Structures ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Metal Silicides

Electric field-tunable electronic structures of 2D alkaline-earth metal hydroxide–graphene heterostructures

2017 ◽  
Vol 5 (29) ◽  
pp. 7230-7235 ◽  
Author(s):  
Congxin Xia ◽  
Qiang Gao ◽  
Wenqi Xiong ◽  
Juan Du ◽  
Xu Zhao ◽  
...  
Keyword(s):  
Electric Field ◽  
Schottky Barrier ◽  
Barrier Height ◽  
Electric Fields ◽  
Electronic Structures ◽  
Alkaline Earth ◽  
Schottky Barrier Height ◽  
Earth Metal ◽  
Metal Hydroxide ◽  
Alkaline Earth Metal

In X(OH)2/graphene (X = Ca, Mg) vdW heterostructures, the Schottky barrier height and contact types are effectively tuned by electric fields.

Impact of Alkaline Earth Metal Doping on the Stability of Perovskite Solar Cells

2019 ◽  
Author(s):  
Nga Phung ◽  
Hans Köbler ◽  
Diego Di Girolamo ◽  
Thi Tuyen Ngo ◽  
Gabrielle Sousa e Silva ◽  
...  
Keyword(s):  
Solar Cells ◽  
Alkaline Earth ◽  
Perovskite Solar Cells ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Metal Doping ◽  
The Stability
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