Electronic structures of semiconducting alkaline-earth metal silicides

2003 ◽  
Author(s):  
Y. Imai ◽  
A. Watanabe ◽  
M. Mukaida ◽  
K. Kobayashi ◽  
T. Tsunoda
Keyword(s):  
Electronic Structures ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Metal Silicides

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

Structural stability and electronic properties of 2D alkaline-earth metal silicides, germanides, and stannides

2020 ◽  
Vol 59 (SF) ◽  
pp. SF0801 ◽  
Author(s):  
A. Y. Alekseev ◽  
D. B. Migas ◽  
A. B. Filonov ◽  
V. E. Borisenko ◽  
N. V. Skorodumova
Keyword(s):  
Electronic Properties ◽  
Structural Stability ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Metal Silicides

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.

Stability of 2D Alkaline-Earth Metal Silicides, Germanides and Stannides

2019 ◽  
Vol 18 (03n04) ◽  
pp. 1940013 ◽  
Author(s):  
A. Yu. Alekseev ◽  
A. G. Chernykh ◽  
A. B. Filonov ◽  
D. B. Migas ◽  
N. V. Skorodumova
Keyword(s):  
Ground State ◽  
Alkaline Earth ◽  
Dynamic Instability ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Metal Chalcogenides ◽  
Metal Silicides ◽  
Phonon Spectra ◽  
Transition Metal Chalcogenides ◽  
T Phase

By means of ab initio calculations, we have estimated stability of 2D Me[Formula: see text] ([Formula: see text], Ca, Sr, Ba and [Formula: see text], Ge, Sn) in the T and Td phases, which are similar to the ones of 2D transition metal chalcogenides, in addition to their phonon spectra. The T phase is found to be more stable for 2D Ca[Formula: see text], Sr[Formula: see text] and Ba[Formula: see text], whereas the Td phase is predicted to be the ground state for 2D Mg[Formula: see text]. We have also discussed that imaginary frequencies in the calculated phonon spectra of 2D Me[Formula: see text], which appeared in the vicinity of the [Formula: see text] point, were not necessarily associated with the dynamic instability.

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.

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