<i>Ab initio</i> derivation and exact diagonalization analysis of low-energy effective Hamiltonians for <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msup><mml:mi>β</mml:mi><mml:mo>′</mml:mo></mml:msup><mml:mtext>−</mml:mtext><mml:mi mathvariant="normal">X</mml:mi><mml:msub><mml:mrow><mml:mo>[</mml:mo><mml:mi>Pd</mml:mi><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>dmit</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:mo>]</mml:mo></mml:mrow><mml:…

نویسندگان

چکیده

The molecular solids $\beta^\prime$-$X$[Pd(dmit)$_2$]$_2$ (where $X$ represents a cation) are typical compounds whose electronic structures described by single-orbital Hubbard-type Hamiltonians with geometrical frustration. Using the $ab$ $initio$ downfolding method, we derive low-energy effective for available room- and low-temperature structures. We find that amplitudes of Coulomb interactions anisotropy hopping parameters in sensitive to changes lattice constants induced lowering temperature. obtained analyzed using exact diagonalization method boundary-condition average. significant reduction antiferromagnetic ordered moment occurs Hamiltonian $\beta^\prime$-EtMe$_3$Sb[Pd(dmit)$_2$]$_2$ structure. is consistent quantum spin liquid behavior observed experiments. comprehensive derivations exact-diagonalization analyses them will clarify microscopic origins exotic states matter found such as behavior.

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Exact low-energy effective actions for hypermultiplets in four dimensions

We consider the general hypermultiplet low-energy effective actions (LEEA) that may appear in four-dimensional, N=2 supersymmetric Yang-Mills theories, e.g. in the Coulomb and Higgs branches. Our main purpose is a description of the exact LEEA of n magnetically charged hypermultiplets. The hypermultiplet LEEA is given by the N=2 supersymmetric non-linear sigma-model (NLSM) with a 4n-dimensional...

متن کامل

CPT Symmetry and Properties of the Exact and Approximate Effective Hamiltonians for the Neutral Kaon Complex

We show that the diagonal matrix elements of the exact effective Hamiltonian governing the time evolution in the subspace of states of an unstable particle and its antiparticle need not be equal at for t > t0 (t0 is the instant of creation of the pair) when the total system under consideration is CPT invariant but CP noninvariant. The unusual consequence of this result is that, contrary to the ...

متن کامل

An introduction to effective low-energy Hamiltonians in condensed matter physics and chemistry

After a brief introduction to second quantisation notation (section II), which is used extensively, I focus of the “four H’s”: the Hückel (or tight binding; section III), Hubbard (section IV), Heisenberg (section V) and Holstein (section VII) models. These models play central roles in our understanding of condensed matter, particularly for materials where electronic correlations are important, ...

متن کامل

Diagonalization of Hamiltonians, uncertainty matrices and Robertson inequality

The problem of diagonalization of Hamiltonians of N -dimensional boson systems by means of time-dependent canonical transformations (CT) is considered, the case of quadratic Hamiltonians being treated in greater detail. The unitary generator of time-dependent CT which can transform any Hamiltonian to that of a system of uncoupled stationary oscillators is constructed. The close relationship bet...

متن کامل

Derivation of turbulent energy of fiber suspensions

The energy equation for turbulent flow of fiber suspensions was derived in terms of second order correlation tensors. Fiber motion of turbulent energy including the correlation between pressure fluctuations and velocity fluctuations was discussed at two points of flow field, at which the correlation tensors were the functions of space coordinates, distance between two points, and time.

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Physical review research

سال: 2021

ISSN: ['2643-1564']

DOI: https://doi.org/10.1103/physrevresearch.3.043224