METHOD OF THE FUNCTIONAL OF ELECTRONIC DENSITY - THERMODYNAMICS OF B1-]B2 PHASE-TRANSITIONS IN HYDRIDES OF ALKALI-METALS

被引:0
|
作者
KRYMOV, VA [1 ]
FUKS, DL [1 ]
机构
[1] ODESSA REFRIGERAT IND TECHNOL INST,ODESSA,UKRAINE,USSR
来源
ZHURNAL FIZICHESKOI KHIMII | 1988年 / 62卷 / 08期
关键词
D O I
暂无
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:2028 / 2034
页数:7
相关论文
共 33 条
  • [21] Density functional theory study of electronic and optical properties of ScN nitride in NaCl-B1, CsCl-B2, ZB-B3 and NiAs-B8 phases
    Mnisi, Bhila Oliver
    BULLETIN OF MATERIALS SCIENCE, 2022, 45 (01)
  • [22] TETRAHEDRAL-OXYGEN CRYSTALS AB2O1 (A = BA, SR, B = AL, GA) - PREPARATION, PROPERTIES AND CHARACTERISTICS OF PHASE-TRANSITIONS
    ZHUROV, VV
    BUSH, AA
    IVANOV, SA
    STEFANOVICH, SY
    ROMANOV, BN
    FIZIKA TVERDOGO TELA, 1991, 33 (06): : 1706 - 1712
  • [23] First-Principles Calculations to Investigate Electronic, Elastic, Magnetic, and Optical Properties for B1, B2, and B3 Phase for Sr0.875Mn0.125O with and Without Relaxation Structure
    Kerbouche, Aouali
    Mebrek, Moued
    Zemouli, Mustapha
    Berber, Mohamed
    Souar, Zeggai
    Benallou, Yassine
    Elkeurti, Mohammed
    CRYSTAL RESEARCH AND TECHNOLOGY, 2023, 58 (11)
  • [24] Low-stability pre-transitional states, orderdisorder phase transitions, and B2–A1 structure transformations in the Cu – 40 at.% Pd alloys
    A. A. Klopotov
    A. I. Potekaev
    É. V. Kozlov
    V. V. Kulagina
    Russian Physics Journal, 2012, 54 : 1012 - 1023
  • [25] Electronic transport properties in the stable phase of a cumulene/B7/cumulene molecular bridge investigated using density functional theory and a tight-binding method
    Qasemnazhand, Mohammad
    Khoeini, Farhad
    Shekarforoush, Sima
    NEW JOURNAL OF CHEMISTRY, 2019, 43 (42) : 16515 - 16523
  • [26] A reversed phase high performance liquid chromatography method for the determination of fumonisins B1 and B2 in food and feed using monolithic column and positive confirmation by liquid chromatography/tandem mass spectrometry
    Khayoon, Wejdan Shakir
    Saad, Bahruddin
    Salleh, Baharuddin
    Ismail, Nor Azliza
    Manaf, Normaliza Hj Abdul
    Latiff, Aishah Abdul
    ANALYTICA CHIMICA ACTA, 2010, 679 (1-2) : 91 - 97
  • [27] CRITICAL-BEHAVIOR IN SPIN-REORIENTATION PHASE-TRANSITIONS - (ER X ND 1-X)2 FE-14 B - (ER X DY 1-X)2FE-14 MAGNETS
    DELMORAL, A
    IBARRA, MR
    MARQUINA, C
    ARNAUDAS, JI
    ALGARABEL, PA
    PHYSICAL REVIEW B, 1989, 40 (10): : 7192 - 7198
  • [28] Structural and Electronic Properties of 4-Bromo-2-(1H-Imidazo[4,5-b]Pyridin-2-yl)Phenol from Density Functional Theory Calculation
    Toh, Pek-Lan
    Char, Jee-Sien
    Sulaiman, Shukri
    Mohamed-Ibrahim, Mohamed-Ismail
    ADVANCED SCIENCE LETTERS, 2017, 23 (11) : 11066 - 11069
  • [29] Determination of the optical constants of ethene-1,1,2,2-tetrayltetram ethylene tetrahiocyanate by Hartree-Fock and density functional method (B3LYP)
    Basoglu, Adil
    Avci, Davult
    Atalay, Yusuf
    SIX INTERNATIONAL CONFERENCE OF THE BALKAN PHYSICAL UNION, 2007, 899 : 677 - 677
  • [30] Electronic, Chemical, Thermodynamics Properties Screening of [M(SDPH)(VDPH)(X)a(Y)b)]n (M = Cr, Mn, Fe, Co, Ni; X = NH3; Y: H2O; a=0 or 1; b=1 or 2; n=0 or 1) Metal Complexes with an Extended Tight Binding Quantum Chemical Method
    Pratiwi, Winda Eka
    Mulyani, Irma
    Ivansyah, Atthar Luqman
    COMPUTATIONAL SCIENCE AND ITS APPLICATIONS, ICCSA 2022, PT II, 2022, 13376 : 314 - 332