Local bonding analysis of the valence and conduction band features of TiO2

2007 ◽  
Vol 102 (3) ◽  
pp. 033707 ◽  
Author(s):  
L. Fleming ◽  
C. C. Fulton ◽  
G. Lucovsky ◽  
J. E. Rowe ◽  
M. D. Ulrich ◽  
...  
Keyword(s):  
Conduction Band ◽  
Bonding Analysis ◽  
Local Bonding

New insight into the intrinsic instability of fcc ZrH2 by energy-resolved local bonding analysis

RSC Advances ◽  
2016 ◽  
Vol 6 (23) ◽  
pp. 19150-19154 ◽  
Author(s):  
Xin Wang ◽  
Rui-Zhi Qiu ◽  
Ya-Jiang Xian ◽  
Yu-Ting Zhang ◽  
Peng-Chuang Liu ◽  
...  
Keyword(s):  
Bonding Analysis ◽  
Local Bonding ◽  
Insight Into

The intrinsic instability of fcc ZrH2 stems from the peak of T2g and Eg orbitals at EF.

Some Applications of the U. S. Steel MVEM

1973 ◽  
Vol 31 ◽  
pp. 4-5
Author(s):  
J. S. Lally ◽  
L. E. Thomas ◽  
R. M. Fisher
Keyword(s):  
Electron Diffraction ◽  
Debye Temperature ◽  
Metals And Alloys ◽  
Critical Voltage ◽  
Dynamical Diffraction ◽  
Phase Structures ◽  
Structure Factors ◽  
Local Bonding ◽  
Diffraction Phenomenon ◽  
Multi Phase

A variety of materials containing many different microstructures have been examined with the USS MVEM. Three topics have been selected to illustrate some of the more recent studies of diffraction phenomena and defect, grain and multi-phase structures of metals and minerals.(1) Critical Voltage Effects in Metals and Alloys - This many-beam dynamical diffraction phenomenon, in which some Bragg resonances vanish at certain accelerating voltages, Vc, depends sensitively on the spacing of diffracting planes, Debye temperature θD and structure factors. Vc values can be measured to ± 0.5% in the HVEM ana used to obtain improved extinction distances and θD values appropriate to electron diffraction, as well as to probe local bonding effects and composition variations in alloys.

Rome’s Loca Sancta

2018 ◽  
Author(s):  
Galit Noga-Banai
Keyword(s):  
Urban Space ◽  
Sacred Spaces ◽  
Local Bonding ◽  
The Creation

This chapter focuses on the creation of holy sites in Rome that are comparable in their significance to those in Jerusalem—that is, touched by past sacred events and/or sacred bodies. It maps the reasons for the change of attitude toward Jerusalem in Rome, and makes the argument that once the locally connected holy sites projected into the urban space, especially the local bonding of the sites related to Peter and Paul, it was possible to include Jerusalem in the Roman decorative programs. The discussion concentrates on the dynamic involved in the commemoration of sacred spaces in Rome, from the architecture of the holy sites (Basilica Apostolorum, S. Paolo fuori le mura) to portable objects related to them.

scholarly journals Band alignment of monolayer CaP3, CaAs3, BaAs3 and the role of p–d orbital interactions in the formation of conduction band minima

2021 ◽  
Vol 23 (12) ◽  
pp. 7418-7425
Author(s):  
Magdalena Laurien ◽  
Himanshu Saini ◽  
Oleg Rubel
Keyword(s):  
Electronic Structure ◽  
Conduction Band ◽  
Electron Affinity ◽  
Band Alignment ◽  
Orbital Interactions

We calculate the band alignment of the newly predicted phosphorene-like puckered monolayers with G0W0 according to the electron affinity rule and examine trends in the electronic structure. Our results give guidance for heterojunction design.

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