Add to ORKGA systematic study of the zinc-blende-type 4d-transition-metal nitrides, which still need to be synthesized, is carried out by means of spin-polarized first-principles full-potential-linearized-augmented-plane- wave calculations using the local spin density approximation. In particular, lattice constants, bulk moduli, band structures and density of states are reported, and trends are discussed
The transition metal pnictides ABX2 have been recently proposed as half-metallic fully com...
Calculations of the electronic properties of AIN, GaN, InN and their alloys are presented. Initial c...
We present a theoretical study with ab initio techniques on magnetic and electronic properties of 3d...
The structural, electronic and mechanical properties of 4d transition metal mononitrides from YN to ...
Calculations of the electronic properties of AIN, GaN, InN and their alloys are presented. Initial c...
WOS: 000282741400003The structural, electronic, and mechanical properties of 4d transition-metal mon...
Electronic structure calculations were performed for the rare-earth (RE) nitrides in the rocksalt st...
375-377The electronic and elastic properties of rock-salt structured nitrides, namely TiN and VN hav...
The electronic and mechanical properties of 5d transition metal mononitrides from LaN to AuN are sys...
The rare-earth nitrides (ReNs) are a class of novel materials with potential for use in spintronics ...
We report ab-initio all electrons density- functional calculations for the electronic structure of t...
We report ab-initio all electrons density- functional calculations for the electronic structure of t...
We studied the structural, elastic, electronic, dynamic and optical properties of scandium and yttri...
Based on the first principle pseudopotential plane wave method, the electronic structure of zinc-ble...
The present work describes the structural stability and electronic and mechanical properties of tran...
The transition metal pnictides ABX2 have been recently proposed as half-metallic fully com...
Calculations of the electronic properties of AIN, GaN, InN and their alloys are presented. Initial c...
We present a theoretical study with ab initio techniques on magnetic and electronic properties of 3d...
The structural, electronic and mechanical properties of 4d transition metal mononitrides from YN to ...
Calculations of the electronic properties of AIN, GaN, InN and their alloys are presented. Initial c...
WOS: 000282741400003The structural, electronic, and mechanical properties of 4d transition-metal mon...
Electronic structure calculations were performed for the rare-earth (RE) nitrides in the rocksalt st...
375-377The electronic and elastic properties of rock-salt structured nitrides, namely TiN and VN hav...
The electronic and mechanical properties of 5d transition metal mononitrides from LaN to AuN are sys...
The rare-earth nitrides (ReNs) are a class of novel materials with potential for use in spintronics ...
We report ab-initio all electrons density- functional calculations for the electronic structure of t...
We report ab-initio all electrons density- functional calculations for the electronic structure of t...
We studied the structural, elastic, electronic, dynamic and optical properties of scandium and yttri...
Based on the first principle pseudopotential plane wave method, the electronic structure of zinc-ble...
The present work describes the structural stability and electronic and mechanical properties of tran...
The transition metal pnictides ABX2 have been recently proposed as half-metallic fully com...
Calculations of the electronic properties of AIN, GaN, InN and their alloys are presented. Initial c...
We present a theoretical study with ab initio techniques on magnetic and electronic properties of 3d...