Structural and electronic properties of ScSb, ScAs, ScP and ScN

被引：46
|
作者：
Tebboune, AbdelGhani
Rached, Djamel
Benzair, AbdelNour
Sekkal, Nadir [1 ]
Belbachir, A. H.
机构：
[1] Univ Sci & Technol Mohamed Boudiaf Oran, Dept Phys, Oran 31000, Algeria
[2] Univ Djillali Liabes Sidi Bel Abbes, Appl Mat Lab, Ctr Rech, Sidi Bel Abbes 22000, Algeria
[3] Univ Djillali Liabes Sidi Bel Abbes, Dept Phys, Sidi Bel Abbes 22000, Algeria
[4] Ecole Normale Super, Dept Chim Phys, Oran, Algeria
[5] Univ Djillali Liabes Sidi Bel Abbes, Computat Mat Sci Lab, Dept Phys, Inst Sci Exactes, Sidi Bel Abbes, Algeria
[6] Phys Lab, Sidi Bel Abbes 22000, Algeria
来源：
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2006年 / 243卷 / 12期
关键词：
D O I：
10.1002/pssb.200541356
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The structural and electronic properties of ScSb, ScAs, ScP and ScN III-V materials are investigated within a version of the first-principles full potential linear muffin-tin orbitals method (FPLMTO) that enables an accurate treatment of the interstitial regions. At high pressure, the transition from rocksalt (B1) to CsCl (B2) structure is found to be possible. The zinc blende phase is also investigated and is found to give a semiconductor behavior with a wide bandgap to all our materials. The latter is direct at X for ScAs, ScSb,ScP. (c) 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
引用
收藏
页码：2788 / 2795
页数：8
相关论文
共 50 条
  • [1] ELECTRONIC AND GEOMETRIC STRUCTURE OF THE DIATOMICS SCN, SCP AND SCAS
    TIENTEGA, F
    HARRISON, JF
    CHEMICAL PHYSICS LETTERS, 1994, 223 (03) : 202 - 206
  • [2] ENERGY BANDS IN SCN SCP AND SCAS
    SWITENDICK, AC
    JONES, ED
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1968, 13 (03): : 365 - +
  • [3] Study of Structural and Electronic Properties of ScN and ScAs in Rocksalt and Zincblende Structure: A DFT Approach
    Nayak, Vikas
    Verma, U. P.
    ADVANCED MATERIALS AND RADIATION PHYSICS (AMRP-2015), 2015, 1675
  • [4] VAPOR GROWTH AND PROPERTIES OF SCAS AND SCP
    YIM, WM
    SMITH, RT
    STOFKO, EJ
    JOURNAL OF APPLIED PHYSICS, 1972, 43 (01) : 254 - &
  • [5] Ab initio study of structural, electronic, elastic, and phonon properties of ScN and ScP at ambient and high pressure
    Pandit, Premlata
    Rakshit, Bipul
    Sanyal, Sankar P.
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2011, 248 (04): : 921 - 927
  • [6] Structural and electronic properties of bulk YN and of the YN/ScN superlattice
    Cherchab, Youcef
    Amrani, Bouhalouane
    Sekkal, Nadir
    Ghezali, Mohamed
    Talbi, Khadija
    PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2008, 40 (03): : 606 - 617
  • [7] First-principles lattice dynamical study of ScAs and ScSb at zero and high pressure
    Rakshit, Bipul
    Sanyal, Sankar P.
    Celino, Massimo
    SOLID STATE COMMUNICATIONS, 2009, 149 (33-34) : 1326 - 1329
  • [8] Theoretical study of the structural, electronic and dynamical properties of rocksalt ScN and GaN
    Duman, S.
    Bagci, S.
    Tutuncu, H. M.
    Ugur, G.
    Srivastava, G. P.
    DIAMOND AND RELATED MATERIALS, 2006, 15 (4-8) : 1175 - 1178
  • [9] A comparative study for structural and electronic properties of single-crystal ScN
    Mohammad, R.
    Katircioglu, S.
    CONDENSED MATTER PHYSICS, 2011, 14 (02)
  • [10] Ab initio study of structural, electronic and optical properties of MnHg(SCN)4 and FeHg(SCN)4
    He, K. H.
    Zheng, G.
    Chen, G.
    Lu, T.
    Wan, M.
    Ji, G. F.
    PHYSICA B-CONDENSED MATTER, 2007, 390 (1-2) : 231 - 235
12345