Electronic And Ground State Properties of ThTe

被引：0

作者：

Bhardwaj, Purvee ^{[1
]}

Singh, Sadhna ^{[1
]}

机构：

[1] Barkatullah Univ, Dept Phys, High Pressure Res Lab, Bhopal 462026, MP, India

来源：

INTERNATIONAL CONFERENCE ON CONDENSED MATTER AND APPLIED PHYSICS (ICC 2015) | 2016年 / 1728卷

关键词：

HIGH-PRESSURE; PHASE-TRANSITION;

D O I：

10.1063/1.4946201

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The electronic properties of ThTe in cesium chloride (C sCI, B2) structure are investigated in the present paper. To study the ground state properties of thorium chalcogenide, the first principle calculations have been calculated. The bulk properties, including lattice constant, bulk modulus and its pressure derivative are obtained. The calculated equilibrium structural parameters are in good agreement with the available experimental and theoretical results.

引用

页数：4

共 10 条

[1] High pressure phase transition and elastic properties of thorium chalcogenides [J].

Aynyas, M ;

Kaurav, N ;

Sanyal, SP .

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2002, 63 (05) :821-826

[2] HIGH-PRESSURE X-RAY-DIFFRACTION STUDIES ON THS UP TO 40 GPA USING SYNCHROTRON RADIATION [J].

BENEDICT, U ;

SPIRLET, JC ;

GERWARD, L ;

OLSEN, JS .

JOURNAL OF THE LESS-COMMON METALS, 1984, 98 (02) :301-307

[3] COMPARATIVE ASPECTS OF THE HIGH-PRESSURE BEHAVIOR OF LANTHANIDE AND ACTINIDE COMPOUNDS [J].

BENEDICT, U .

JOURNAL OF ALLOYS AND COMPOUNDS, 1995, 223 (02) :216-225

[4] Phase transition and bulk properties of some polonide compounds: a comparative study [J].

Bhardwaj, Purvee ;

Singh, Sadhna .

PHASE TRANSITIONS, 2015, 88 (09) :859-876

[5]

D'Eye R. W. M., 1952, J CHEM SOC, V2555, P3760

[6] Thermo-elastic and structural properties of thorium chalcogenides: A high pressure study [J].

Gupta, Dinesh C. ;

Singh, Kailash C. .

SOLID STATE SCIENCES, 2010, 12 (10) :1809-1815

[7] High-pressure study of binary thorium compounds from first principles theory and comparisons with experiment [J].

Kanchana, V. ;

Vaitheeswaran, G. ;

Svane, A. ;

Heathman, S. ;

Gerward, L. ;

Olsen, J. Staun .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2014, 70 :459-468

[8]

Olsen J. S., 1988, High Temperatures - High Pressures, V20, P553

[9] Electronic structure of praseodymium monopnictides and monochalcogenides under pressure [J].

Vaitheeswaran, G ;

Petit, L ;

Svane, A ;

Kanchana, V ;

Rajagopalan, M .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2004, 16 (25) :4429-4440

[10]

Van Barth U., 1972, J PHYS C SOLID STATE, V5, P1629

← 1 →