Full potential linearised augmented plane-wave

FLAPW Full potential linearised augmented plane wave Jansen and Freeman (1984)... 

TABLES 1 and 2 show the calculated and measured results of splitting energies in WZ and ZB structures, respectively. Suzuki et al derived the values of A and Ar for WZ and ZN GaN and AIN from a full-potential linearised augmented plane wave (FLAPW) and band calculation [3,4], Another result with LAPW calculation was given by Wei and Zunger [5], Kim et al [6] determined them by the linear muffm-tin orbital (LMTO) method within the atomic sphere approximation (ASA). Majewski... 

The calculated and measured electron effective mass m c and its k-dependency for WZ and ZB GaN and AIN are summarised in TABLES 1 and 2, respectively. Suzuki et al derived them with a full-potential linearised augmented plane wave (FLAPW) band calculation [4,5], Miwa et al used a pseudopotential mixed basis approach to calculate them [6]. Kim et al [7] determined values for WZ nitrides by the full-potential linear muffin-tin orbital (FP-LMTO) method. Majewski et al [8] and Chow et al [9,10] used the norm-conserving pseudo-potential plane-wave (PPPW) method. Chen et al [11] also used the FLAPW method to determine values for WZ GaN, and Fan et al obtained values for ZB nitrides by their empirical pseudo-potential (EPP) calculation [12],... 

FAB FEA FEB FET FFP FIB FIELO FIR FLAPW FP FP-LMTO FWHM fast atom beam free A exciton free B exciton field effect transistor far field pattern focused ion beam facet-initiated epitaxial lateral overgrowth far infrared reflectance full-potential linearised augmented plane wave Fabry-Perot full-potential linear muffin-tin orbital full wave at half maximum... 

As shown in Table 19, calculations [88] using the full-potential linearised augmented plane wave (FLAPW) method for the Al(lOO)—c(2 x 2)—Li phase formed by adsorption of 0.5 ML Li at room temperature con rm quantitatively the results of the LEED analysis described in Sec. 4.3 where, as shown in Fig. 15, Li was found to adsorb in a four-fold, substitutional site. 

A half-metallic character has been proposed in another spinel oxide, LiCr204, by spin-polarised first principles density functional calculations (Figure 5.8). Both full potential linearised augmented plane-wave (FP-LAPW) and the LMTO methods were used to calculate the band structures. The lattice and other internal parameters for the cubic spinel structure were optimised with FP-LAPW calculations and subsequently the optimised parameters were used in the band structure calculations. Flowever, the experimental realisation of Li(Cr " " " )204 is still a challenge to confirm its predicted electronic and magnetic properties. 

---