Open AccessFirst principles calculation of occupancy, bonding characteristics and alloying effect of Cr, Mo, Ni in bulk α-Fe?
Author(s) -
Ping Wen,
Li Chun-Fu,
Yi Zhao,
Zhang Feng-Chun,
Tong Li-Hua
Publication year - 2014
Publication title -
acta physica sinica
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.63.197101
Subject(s) - materials science , antibonding molecular orbital , density functional theory , ionic bonding , charge density , atom (system on chip) , mulliken population analysis , covalent bond , population , metallic bonding , density of states , metal , atomic orbital , condensed matter physics , computational chemistry , metallurgy , chemistry , electron , ion , physics , demography , organic chemistry , quantum mechanics , sociology , computer science , embedded system
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom