Matches in SemOpenAlex for { <https://semopenalex.org/work/W4378626501> ?p ?o ?g. }
- W4378626501 endingPage "172" @default.
- W4378626501 startingPage "113" @default.
- W4378626501 abstract "In this chapter, boron-, carbon- and nitrogen-substituted germanene systems exhibit the diverse orbital hybridizations and spin configurations, as thoroughly examined from the first-principles simulations for the highly non-uniform chemical bonds, the atom- & spin-dominated band structures within the specific energy ranges, the spatial charge/spin densities & their variations after the chemical substitutions, and the atom-, orbital- & spin-projected density of states. The featured quasiparticle properties cover the position-dependent chemical bonds under the various substitution cases, the diversified energy spectra & wave functions, the diversified orbital hybridizations, and various van Hove singularities due to different critical points. Through the detailed analyses of all relevant quantities, the specific orbital hybridizations are the dominant π & σ bondings and the minor sp3 ones in a pristine monolayer germanene, the [4s, 4px, 4py,4pz]-[4s, 4px, 4py,4pz] and [4s, 4px, 4py,4pz]-[2s, 2px, 2py,2pz] mixings, respectively, in Ge–Ge, Ge–B/Ge–C/Ge–N and B–B/C–C/N–N bonds of buckled binary compounds, as well as, the almost perpendicular π & σ bondings for non-buckled systems. Also noticed that the hopping integrals and the one-site Coulomb potentials very differ from one another among these complex orbital mixings under the distinct atomic configurations." @default.
- W4378626501 created "2023-05-29" @default.
- W4378626501 creator A5005344676 @default.
- W4378626501 creator A5040018532 @default.
- W4378626501 creator A5045392886 @default.
- W4378626501 creator A5056797592 @default.
- W4378626501 date "2023-01-01" @default.
- W4378626501 modified "2023-10-18" @default.
- W4378626501 title "Carbon-/boron-/nitrogen-substituted germaneness" @default.
- W4378626501 cites W1521746289 @default.
- W4378626501 cites W1559534961 @default.
- W4378626501 cites W1633731518 @default.
- W4378626501 cites W1651872625 @default.
- W4378626501 cites W1760544772 @default.
- W4378626501 cites W1777862677 @default.
- W4378626501 cites W1793566384 @default.
- W4378626501 cites W1863958560 @default.
- W4378626501 cites W1878720297 @default.
- W4378626501 cites W1928957343 @default.
- W4378626501 cites W1948123192 @default.
- W4378626501 cites W1950342126 @default.
- W4378626501 cites W1962814503 @default.
- W4378626501 cites W1963795548 @default.
- W4378626501 cites W1964923160 @default.
- W4378626501 cites W1965871870 @default.
- W4378626501 cites W1967451468 @default.
- W4378626501 cites W1967519902 @default.
- W4378626501 cites W1967780597 @default.
- W4378626501 cites W1969256165 @default.
- W4378626501 cites W1970127494 @default.
- W4378626501 cites W1970283090 @default.
- W4378626501 cites W1973579599 @default.
- W4378626501 cites W1974491239 @default.
- W4378626501 cites W1974977862 @default.
- W4378626501 cites W1978506526 @default.
- W4378626501 cites W1979544533 @default.
- W4378626501 cites W1979573128 @default.
- W4378626501 cites W1981368803 @default.
- W4378626501 cites W1981869527 @default.
- W4378626501 cites W1982908857 @default.
- W4378626501 cites W1984809562 @default.
- W4378626501 cites W1985000288 @default.
- W4378626501 cites W1985957469 @default.
- W4378626501 cites W1987422781 @default.
- W4378626501 cites W1988310931 @default.
- W4378626501 cites W1989525048 @default.
- W4378626501 cites W1991556774 @default.
- W4378626501 cites W1992856317 @default.
- W4378626501 cites W1992970469 @default.
- W4378626501 cites W1993574804 @default.
- W4378626501 cites W1997362608 @default.
- W4378626501 cites W2002248800 @default.
- W4378626501 cites W2005689174 @default.
- W4378626501 cites W2007701020 @default.
- W4378626501 cites W2007707344 @default.
- W4378626501 cites W2008240681 @default.
- W4378626501 cites W2008511013 @default.
- W4378626501 cites W2009541596 @default.
- W4378626501 cites W2009910436 @default.
- W4378626501 cites W2010066072 @default.
- W4378626501 cites W2010514931 @default.
- W4378626501 cites W2014767273 @default.
- W4378626501 cites W2014862818 @default.
- W4378626501 cites W2015673981 @default.
- W4378626501 cites W2017084330 @default.
- W4378626501 cites W2018858346 @default.
- W4378626501 cites W2019621799 @default.
- W4378626501 cites W2020332193 @default.
- W4378626501 cites W2020454154 @default.
- W4378626501 cites W2020623316 @default.
- W4378626501 cites W2022060097 @default.
- W4378626501 cites W2025402098 @default.
- W4378626501 cites W2025712818 @default.
- W4378626501 cites W2026167865 @default.
- W4378626501 cites W2027201694 @default.
- W4378626501 cites W2030057115 @default.
- W4378626501 cites W2031138822 @default.
- W4378626501 cites W2036255098 @default.
- W4378626501 cites W2037003608 @default.
- W4378626501 cites W2038079545 @default.
- W4378626501 cites W2041079153 @default.
- W4378626501 cites W2041345847 @default.
- W4378626501 cites W2041653844 @default.
- W4378626501 cites W2043090894 @default.
- W4378626501 cites W2043742590 @default.
- W4378626501 cites W2045641593 @default.
- W4378626501 cites W2048101946 @default.
- W4378626501 cites W2048456756 @default.
- W4378626501 cites W2050622927 @default.
- W4378626501 cites W2051252488 @default.
- W4378626501 cites W2052199607 @default.
- W4378626501 cites W2053157964 @default.
- W4378626501 cites W2056856894 @default.
- W4378626501 cites W2057130231 @default.
- W4378626501 cites W2057423897 @default.
- W4378626501 cites W2058122340 @default.
- W4378626501 cites W2059503835 @default.
- W4378626501 cites W2060112575 @default.