The recently discovered compound BeP2N4 that crystallizes in the phenakite-type structure has potential application as a high strength optoelectronic material. Therefore, it is important to analyze experimentally the electronic structure, which was done in the present work by monochromated electron energy-loss spectroscopy. The detection of Be is challenging due to its low atomic number and easy removal under electron bombardment. We were able to determine the bonding behavior and coordination of the individual atomic species including Be. This is evident from a good agreement between experimental electron energy-loss near-edge structures of the Be-K-, P-L-2,L-3-, and N-K-edges and density functional theory calculations
A very high level of theoretical treatment (complete active space self-consistent field CASSCF/MRCI/...
All-electron, density-functional calculations on an hcp Be dilayer find c/a at equilibrium to be 1.6...
New, stable stoichiometries in Be-P systems are investigated up to 100 GPa by the CALYPSO structure ...
The recently discovered compound BeP2N4 that crystallizes in the phenakite-type structure has potent...
The recently discovered compound BeP2N4 that crystallizes in the phenakite-type structure has potent...
Author Institution: Department of Chemistry, Emory University, Atlanta GA 30322; 418 Vista Quinta, N...
Author Institution: Department of Chemistry, Emory University, Atlanta, GA 30322Metal clusters and s...
Using density-functional-theory-based ab initio methods, the electronic structure and physical prope...
International audienceThe structure of BeB2C2 (see picture; Be white, B dark gray, C light gray) has...
Beryllium can exhibit unusually strong attractive interactions under conditions where it is nominall...
Beryllium represents a challenging test to our understanding of surface physics because of its uniqu...
Beryllium is known to be a challenging test for even high level \textit{ab initio} methods due to hi...
Beryllium is known to defy conventional bonding motifs in even the smallest of molecular systems. No...
Typescript (photocopy).The electron deformation density of Li(,2)BeF(,4) was investigated with respe...
Be-rich intermetallics (beryllides) have gathered wide attentions to be adopted for high temperature...
A very high level of theoretical treatment (complete active space self-consistent field CASSCF/MRCI/...
All-electron, density-functional calculations on an hcp Be dilayer find c/a at equilibrium to be 1.6...
New, stable stoichiometries in Be-P systems are investigated up to 100 GPa by the CALYPSO structure ...
The recently discovered compound BeP2N4 that crystallizes in the phenakite-type structure has potent...
The recently discovered compound BeP2N4 that crystallizes in the phenakite-type structure has potent...
Author Institution: Department of Chemistry, Emory University, Atlanta GA 30322; 418 Vista Quinta, N...
Author Institution: Department of Chemistry, Emory University, Atlanta, GA 30322Metal clusters and s...
Using density-functional-theory-based ab initio methods, the electronic structure and physical prope...
International audienceThe structure of BeB2C2 (see picture; Be white, B dark gray, C light gray) has...
Beryllium can exhibit unusually strong attractive interactions under conditions where it is nominall...
Beryllium represents a challenging test to our understanding of surface physics because of its uniqu...
Beryllium is known to be a challenging test for even high level \textit{ab initio} methods due to hi...
Beryllium is known to defy conventional bonding motifs in even the smallest of molecular systems. No...
Typescript (photocopy).The electron deformation density of Li(,2)BeF(,4) was investigated with respe...
Be-rich intermetallics (beryllides) have gathered wide attentions to be adopted for high temperature...
A very high level of theoretical treatment (complete active space self-consistent field CASSCF/MRCI/...
All-electron, density-functional calculations on an hcp Be dilayer find c/a at equilibrium to be 1.6...
New, stable stoichiometries in Be-P systems are investigated up to 100 GPa by the CALYPSO structure ...